| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.8 | Very low | 44.7 | Very low | 200 Ų | 200 | 123.7 Ų | 123.7 | 99% | 0.985 | 62% | 0.62 | S | S | * | * | 0 | -42.2 | 0 | -143.8 | 167.9 | 79.6 | 0 | 0 | 112.8 | |||||
| 2 | L | 34.6 | Very low | 44.7 | Very low | 142 Ų | 142 | 121.9 Ų | 121.9 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.5 | -31.2 | -179 | -76.5 | 154.7 | 0 | 0 | 0 | 115.1 | Y4 I5 Q6 | L2-Y4 VanDerWaalsContact C-N 3.31Å; L2-Y4 PolarHBondContact O-N 2.88Å; L2-I5 PolarHBondContact O-N 3.15Å; L2-Q6 PolarHBondContact O-N 3.22Å |
| 3 | V | 41.7 | Very low | 44.7 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 79% | 0.794 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70 | -27.8 | 179.2 | -161 | 0 | 0 | 0 | 0 | 112.7 | ||
| 4 | Y | 38.6 | Very low | 44.9 | Very low | 189 Ų | 189 | 120.3 Ų | 120.3 | 74% | 0.741 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -78 | -33.5 | -179.1 | -152 | -96.8 | 0 | 0 | 0 | 112 | L2 F7 V8 | L2-Y4 VanDerWaalsContact C-N 3.31Å; L2-Y4 PolarHBondContact O-N 2.88Å; Y4-F7 PolarHBondContact O-N 3.25Å; Y4-V8 WeakPolarHBondContact O-CG2 3.45Å; Y4-V8 PolarHBondContact O-N 3.34Å |
| 5 | I | 45.3 | Very low | 44.9 | Very low | 92 Ų | 92 | 122.6 Ų | 122.6 | 47% | 0.472 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -73.7 | -37.3 | 179.3 | -62 | 172.1 | 0 | 0 | 0 | 110.5 | L2 F7 I9 | L2-I5 PolarHBondContact O-N 3.15Å; I5-F7 VanDerWaalsContact C-N 3.28Å; I5-F7 PolarHBondContact O-N 3.21Å; I5-I9 HydrophobicContact CG2-CD1 4.23Å; I5-I9 WeakPolarHBondContact O-CG1 3.5Å; I5-I9 PolarHBondContact O-N 3.02Å |
| 6 | Q | 40.5 | Very low | 45.2 | Very low | 134 Ų | 134 | 120.2 Ų | 120.2 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.8 | -33.2 | 175.8 | -146.6 | 94.8 | 9.2 | 0 | 0 | 112.2 | L2 I10 | L2-Q6 PolarHBondContact O-N 3.22Å; Q6-I10 WeakPolarHBondContact O-CD1 3.5Å; Q6-I10 WeakPolarHBondContact O-CG1 3.29Å; Q6-I10 PolarHBondContact O-N 3.4Å |
| 7 | F | 43.6 | Very low | 45.1 | Very low | 146 Ų | 146 | 119.4 Ų | 119.4 | 64% | 0.64 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.7 | -37.7 | -178 | -153.8 | -96.9 | 0 | 0 | 0 | 112.8 | Y4 I5 I9 I10 V11 | Y4-F7 PolarHBondContact O-N 3.25Å; I5-F7 VanDerWaalsContact C-N 3.28Å; I5-F7 PolarHBondContact O-N 3.21Å; F7-I9 VanDerWaalsContact C-N 3.34Å; F7-I9 PolarHBondContact O-N 3.22Å; F7-I10 PolarHBondContact O-N 3Å; F7-V11 HydrophobicContact CD1-CG2 4.35Å; F7-V11 HydrophobicContact CE1-CG2 4.35Å; F7-V11 WeakPolarHBondContact O-CG2 3.37Å; F7-V11 PolarHBondContact O-N 2.79Å |
| 8 | V | 50.3 | Low | 45.2 | Very low | 80 Ų | 80 | 118.9 Ų | 118.9 | 49% | 0.485 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.8 | -35 | 177.2 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | Y4 N12 | Y4-V8 WeakPolarHBondContact O-CG2 3.45Å; Y4-V8 PolarHBondContact O-N 3.34Å; V8-N12 PolarHBondContact O-N 3.45Å; V8-N12 VanDerWaalsContact O-N 3.15Å |
| 9 | I | 47.4 | Very low | 45.4 | Very low | 87 Ų | 87 | 121.2 Ų | 121.2 | 45% | 0.446 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.8 | -40.8 | 178.8 | -65.7 | 170.9 | 0 | 0 | 0 | 111.2 | I5 F7 V11 N12 Q13 | I5-I9 HydrophobicContact CG2-CD1 4.23Å; I5-I9 WeakPolarHBondContact O-CG1 3.5Å; I5-I9 PolarHBondContact O-N 3.02Å; F7-I9 VanDerWaalsContact C-N 3.34Å; F7-I9 PolarHBondContact O-N 3.22Å; I9-V11 VanDerWaalsContact C-N 3.35Å; I9-V11 PolarHBondContact O-N 2.78Å; I9-N12 PolarHBondContact O-N 3.33Å; I9-Q13 HydrophobicContact CG2-CG 4.44Å; I9-Q13 WeakPolarHBondContact O-CG 3.4Å; I9-Q13 PolarHBondContact O-N 3.05Å |
| 10 | I | 49 | Very low | 45.3 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 48% | 0.482 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.6 | -38.5 | 178.7 | -66.4 | 167.4 | 0 | 0 | 0 | 111.3 | Q6 F7 N14 | Q6-I10 WeakPolarHBondContact O-CD1 3.5Å; Q6-I10 WeakPolarHBondContact O-CG1 3.29Å; Q6-I10 PolarHBondContact O-N 3.4Å; F7-I10 PolarHBondContact O-N 3Å; I10-N14 PolarHBondContact O-N 3Å; I10-N14 VanDerWaalsContact O-N 3.15Å |
| 11 | V | 51.8 | Low | 45.2 | Very low | 66 Ų | 66 | 125.9 Ų | 125.9 | 40% | 0.4 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.2 | -42.5 | 177.6 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | F7 I9 N14 W15 | F7-V11 HydrophobicContact CD1-CG2 4.35Å; F7-V11 HydrophobicContact CE1-CG2 4.35Å; F7-V11 WeakPolarHBondContact O-CG2 3.37Å; F7-V11 PolarHBondContact O-N 2.79Å; I9-V11 VanDerWaalsContact C-N 3.35Å; I9-V11 PolarHBondContact O-N 2.78Å; V11-N14 PolarHBondContact O-N 3.1Å; V11-W15 VanDerWaalsContact O-CD1 3.31Å; V11-W15 PolarHBondContact O-N 3.25Å; V11-W15 VanDerWaalsContact O-N 3.12Å |
| 12 | N | 45 | Very low | 45.1 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.8 | -38.7 | 178.5 | -98.8 | -12.1 | 0 | 0 | 0 | 113.1 | V8 I9 N14 W15 D16 | V8-N12 PolarHBondContact O-N 3.45Å; V8-N12 VanDerWaalsContact O-N 3.15Å; I9-N12 PolarHBondContact O-N 3.33Å; N12-N14 VanDerWaalsContact C-N 3.32Å; N12-N14 PolarHBondContact O-N 3.45Å; N12-W15 PolarHBondContact O-N 3.48Å; N12-D16 PolarHBondContact O-N 2.97Å; N12-D16 VanDerWaalsContact O-N 3.12Å |
| 13 | Q | 44.7 | Very low | 45.8 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 59% | 0.589 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.3 | -33.6 | 176.6 | -74.4 | -173.3 | -18.7 | 0 | 0 | 112.6 | I9 N17 | I9-Q13 HydrophobicContact CG2-CG 4.44Å; I9-Q13 WeakPolarHBondContact O-CG 3.4Å; I9-Q13 PolarHBondContact O-N 3.05Å; Q13-N17 WeakPolarHBondContact O-CB 3.43Å; Q13-N17 PolarHBondContact O-N 3.42Å |
| 14 | N | 46.8 | Very low | 46 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 51% | 0.508 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70.3 | -32.4 | 172.2 | -94 | -15.6 | 0 | 0 | 0 | 112.9 | I10 V11 N12 Q18 | I10-N14 PolarHBondContact O-N 3Å; I10-N14 VanDerWaalsContact O-N 3.15Å; V11-N14 PolarHBondContact O-N 3.1Å; N12-N14 VanDerWaalsContact C-N 3.32Å; N12-N14 PolarHBondContact O-N 3.45Å; N14-Q18 VanDerWaalsContact O-CG 3.29Å; N14-Q18 WeakPolarHBondContact O-CG 3.44Å; N14-Q18 PolarHBondContact O-N 3.12Å |
| 15 | W | 45.8 | Very low | 46.1 | Very low | 155 Ų | 155 | 131 Ų | 131 | 59% | 0.587 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.7 | -41.9 | 177.1 | -97.5 | 71.5 | 0 | 0 | 0 | 113 | V11 N12 Q18 R19 | V11-W15 VanDerWaalsContact O-CD1 3.31Å; V11-W15 PolarHBondContact O-N 3.25Å; V11-W15 VanDerWaalsContact O-N 3.12Å; N12-W15 PolarHBondContact O-N 3.48Å; W15-Q18 PolarHBondContact O-N 3.44Å; W15-R19 PolarHBondContact O-N 3.15Å |
| 16 | D | 49.9 | Very low | 45.8 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 45% | 0.449 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -75.2 | -33.4 | 178.7 | -79.4 | -28 | 0 | 0 | 0 | 112.7 | N12 Q18 R19 H20 | N12-D16 PolarHBondContact O-N 2.97Å; N12-D16 VanDerWaalsContact O-N 3.12Å; D16-Q18 PolarHBondContact O-N 3.47Å; D16-R19 PolarHBondContact O-N 2.99Å; D16-R19 IonicContact OD1-NH1 2.83Å; D16-R19 PolarHBondContact OD1-NH1 3.18Å; D16-H20 PolarHBondContact O-N 3.39Å |
| 17 | N | 43.3 | Very low | 45.7 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 57% | 0.572 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.9 | -29.3 | 171.6 | -86.4 | -17 | 0 | 0 | 0 | 112.9 | Q13 | Q13-N17 WeakPolarHBondContact O-CB 3.43Å; Q13-N17 PolarHBondContact O-N 3.42Å |
| 18 | Q | 47.3 | Very low | 45.4 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -77.9 | -23.3 | 176.3 | -76.1 | -178.5 | 14.9 | 0 | 0 | 113.7 | N14 W15 D16 | N14-Q18 VanDerWaalsContact O-CG 3.29Å; N14-Q18 WeakPolarHBondContact O-CG 3.44Å; N14-Q18 PolarHBondContact O-N 3.12Å; W15-Q18 PolarHBondContact O-N 3.44Å; D16-Q18 PolarHBondContact O-N 3.47Å |
| 19 | R | 47.7 | Very low | 45.1 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.4 | -40.2 | 174.9 | -76.7 | -176.8 | -179.8 | 148.9 | -6.4 | 112.1 | W15 D16 Q21 R22 | W15-R19 PolarHBondContact O-N 3.15Å; D16-R19 PolarHBondContact O-N 2.99Å; D16-R19 IonicContact OD1-NH1 2.83Å; D16-R19 PolarHBondContact OD1-NH1 3.18Å; R19-Q21 PolarHBondContact O-N 2.85Å; R19-R22 PolarHBondContact O-N 3.12Å |
| 20 | H | 44.8 | Very low | 44.6 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 80% | 0.796 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -11.8 | -178.8 | -84.2 | -65.1 | 0 | 0 | 0 | 114.7 | D16 | D16-H20 PolarHBondContact O-N 3.39Š|
| 21 | Q | 42.9 | Very low | 44 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 2.7 | 177.4 | -68.5 | -174.8 | 9.3 | 0 | 0 | 114.5 | R19 | R19-Q21 PolarHBondContact O-N 2.85Š|
| 22 | R | 47.2 | Very low | 43.4 | Very low | 204 Ų | 204 | 144.9 Ų | 144.9 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | -98.9 | 1.7 | -173.5 | -78.7 | -174.4 | 179.7 | -171 | 2 | 116.1 | R19 | R19-R22 PolarHBondContact O-N 3.12Š| ||
| 23 | E | 47.9 | Very low | 43 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -100 | 121.3 | 172.7 | -71.3 | -179 | 163.3 | 0 | 0 | 110 | ||
| 24 | H | 46.8 | Very low | 42.9 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | 88.3 | 68.4 | -179.9 | -54.9 | -58.2 | 0 | 0 | 0 | 118.7 | ||||
| 25 | K | 40.7 | Very low | 43 | Very low | 208 Ų | 208 | 151.5 Ų | 151.5 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | trans | -133.2 | 120.5 | 143.1 | -81.2 | -174 | 177.1 | 174.8 | 0 | 110.9 | ||||
| 26 | K | 38.9 | Very low | 43.5 | Very low | 192 Ų | 192 | 147.3 Ų | 147.3 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | -65.6 | 152.2 | 172.4 | -72.6 | -179.3 | 178.6 | -178.5 | 0 | 110.2 | T28 | K26-T28 PolarHBondContact O-N 3.05Å; K26-T28 VanDerWaalsContact O-N 3.15Å | ||
| 27 | P | 37.7 | Very low | 43.8 | Very low | 133 Ų | 133 | 150 Ų | 150 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -77.6 | 106 | -173.2 | 30.8 | -31.9 | 0 | 0 | 0 | 110.6 | ||||
| 28 | T | 37.8 | Very low | 44.8 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -88.4 | 125 | 158.9 | 36.3 | 0 | 0 | 0 | 0 | 108.4 | K26 H30 | K26-T28 PolarHBondContact O-N 3.05Å; K26-T28 VanDerWaalsContact O-N 3.15Å; T28-H30 PolarHBondContact O-N 3.38Å | ||
| 29 | T | 44.6 | Very low | 46.2 | Very low | 146 Ų | 146 | 150.4 Ų | 150.4 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | trans | -56.3 | 93.5 | 174.4 | 44.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 30 | H | 35.3 | Very low | 48.4 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -104.5 | 120.2 | 156.6 | -83.4 | -65 | 0 | 0 | 0 | 107.3 | T28 T32 | T28-H30 PolarHBondContact O-N 3.38Å; H30-T32 PolarHBondContact O-N 3.2Å | ||
| 31 | S | 38.3 | Very low | 50.9 | Low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -51.1 | 108.2 | 167.4 | 52.5 | 0 | 0 | 0 | 0 | 108.9 | M33 | S31-M33 PolarHBondContact O-N 3.07Š| ||
| 32 | T | 38.8 | Very low | 53.5 | Low | 137 Ų | 137 | 134.6 Ų | 134.6 | 84% | 0.84 | 71% | 0.706 | S | S | * | * | trans | -58 | 110 | 166.8 | -37.6 | 0 | 0 | 0 | 0 | 106.3 | H30 A34 | H30-T32 PolarHBondContact O-N 3.2Å; T32-A34 PolarHBondContact O-N 2.85Å | ||
| 33 | M | 36.3 | Very low | 55.9 | Low | 174 Ų | 174 | 126.1 Ų | 126.1 | 86% | 0.857 | 68% | 0.675 | S | S | * | * | trans | -57.5 | 118 | 168.1 | -68.1 | -164.5 | -175.5 | 0 | 0 | 106.3 | S31 E35 | S31-M33 PolarHBondContact O-N 3.07Å; M33-E35 PolarHBondContact O-N 3.32Å | ||
| 34 | A | 43.3 | Very low | 58.3 | Low | 92 Ų | 92 | 118 Ų | 118 | 76% | 0.76 | 64% | 0.637 | S | S | * | * | trans | -55.2 | 123.8 | 167 | 0 | 0 | 0 | 0 | 0 | 106.8 | T32 G36 | T32-A34 PolarHBondContact O-N 2.85Å; A34-G36 VanDerWaalsContact C-N 3.31Å; A34-G36 PolarHBondContact O-N 3.24Å | ||
| 35 | E | 48.9 | Very low | 60.7 | Low | 197 Ų | 197 | 109.2 Ų | 109.2 | 92% | 0.921 | 60% | 0.596 | S | S | * | * | trans | -55.9 | 103.5 | 164.9 | -77.5 | 178.7 | 153.9 | 0 | 0 | 106.4 | M33 | M33-E35 PolarHBondContact O-N 3.32Š| ||
| 36 | G | 55 | Low | 63.4 | Low | 66 Ų | 66 | 99.3 Ų | 99.3 | 68% | 0.68 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 144.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | A34 | A34-G36 VanDerWaalsContact C-N 3.31Å; A34-G36 PolarHBondContact O-N 3.24Å |
| 37 | E | 57.6 | Low | 66.1 | Low | 141 Ų | 141 | 90.2 Ų | 90.2 | 66% | 0.659 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 142.1 | 174.8 | -70.1 | -149.5 | 112.3 | 0 | 0 | 110.7 | Q39 K91 | E37-Q39 PolarHBondContact O-N 3.43Å; E37-K91 IonicContact OE1-NZ 3.19Å; E37-K91 PolarHBondContact OE1-NZ 2.83Å |
| 38 | P | 63.1 | Low | 68.9 | Low | 31 Ų | 31 | 83.9 Ų | 83.9 | 20% | 0.201 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -51 | 120.1 | 172.5 | -24.3 | 31.4 | 0 | 0 | 0 | 109.8 | V40 V82 A89 K91 | P38-V40 PolarHBondContact O-N 3.06Å; P38-V82 HydrophobicContact CG-CG1 4.22Å; P38-V82 HydrophobicContact CG-CG2 4.28Å; P38-A89 HydrophobicContact CB-CB 4.19Å; P38-A89 HydrophobicContact CG-CB 4.34Å; P38-K91 HydrophobicContact CB-CB 4.16Å; P38-K91 HydrophobicContact CG-CB 4.27Å |
| 39 | Q | 76.2 | Confident | 71.5 | Confident | 196 Ų | 196 | 79.5 Ų | 79.5 | 92% | 0.916 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -65 | -22.5 | -177.4 | -69.3 | -170.9 | -9 | 0 | 0 | 112.5 | E37 | E37-Q39 PolarHBondContact O-N 3.43Š|
| 40 | V | 94.1 | Very high | 73.8 | Confident | 57 Ų | 57 | 73.5 Ų | 73.5 | 35% | 0.345 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 113.5 | 179.1 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | P38 F42 I90 K91 I200 | P38-V40 PolarHBondContact O-N 3.06Å; V40-F42 HydrophobicContact CG1-CD2 4.33Å; V40-F42 HydrophobicContact CG1-CE2 3.45Å; V40-F42 VanDerWaalsContact CG1-CE2 3.45Å; V40-F42 HydrophobicContact CG1-CZ 3.6Å; V40-I90 HydrophobicContact CG1-CG1 4.49Å; V40-K91 PolarHBondContact O-N 2.85Å; V40-I200 HydrophobicContact CG1-CD1 4.01Å |
| 41 | Q | 96.9 | Very high | 76.5 | Confident | 93 Ų | 93 | 67.2 Ų | 67.2 | 44% | 0.435 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 143.7 | 176.9 | 64.9 | -179.2 | 13 | 0 | 0 | 112.5 | K91 | Q41-K91 CarbonylContact C-O 3.5Å; Q41-K91 WeakPolarHBondContact CA-O 3.01Å; Q41-K91 HydrophobicContact CB-CB 4.04Å; Q41-K91 HydrophobicContact CB-CD 4.49Å |
| 42 | F | 98.2 | Very high | 79.3 | Confident | 21 Ų | 21 | 62 Ų | 62 | 9% | 0.092 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.7 | 179.3 | -59.5 | -73 | 0 | 0 | 0 | 111.1 | V40 L44 I90 K91 Y92 N93 Q115 L199 I200 | V40-F42 HydrophobicContact CG1-CD2 4.33Å; V40-F42 HydrophobicContact CG1-CE2 3.45Å; V40-F42 VanDerWaalsContact CG1-CE2 3.45Å; V40-F42 HydrophobicContact CG1-CZ 3.6Å; F42-L44 PolarHBondContact O-N 2.96Å; F42-I90 HydrophobicContact CD2-CG2 3.72Å; F42-I90 HydrophobicContact CE2-CG2 3.8Å; F42-K91 PolarHBondContact N-O 3.41Å; F42-Y92 HydrophobicContact CB-CD1 3.9Å; F42-Y92 HydrophobicContact CB-CE1 3.98Å; F42-Y92 HydrophobicContact CD2-CE1 4.07Å; F42-Y92 HydrophobicContact CG-CE1 4.38Å; F42-Y92 WeakPolarHBondContact O-CA 3.37Å; F42-N93 PolarHBondContact O-N 2.83Å; F42-Q115 VanDerWaalsContact CA-OE1 3.26Å; F42-Q115 HydrophobicContact CB-CB 4.44Å; F42-Q115 HydrophobicContact CD1-CB 4.19Å; F42-L199 HydrophobicContact CB-CD1 4.16Å; F42-L199 HydrophobicContact CD1-CB 4.37Å; F42-L199 HydrophobicContact CD1-CD1 3.96Å; F42-L199 HydrophobicContact CD1-CD2 4.08Å; F42-L199 HydrophobicContact CD1-CG 4.37Å; F42-L199 HydrophobicContact CD2-CD1 3.83Å; F42-L199 HydrophobicContact CE1-CB 3.9Å; F42-L199 HydrophobicContact CE1-CD1 4.32Å; F42-L199 HydrophobicContact CE1-CD2 4.19Å; F42-L199 HydrophobicContact CE1-CG 4.37Å; F42-L199 HydrophobicContact CE2-CB 4.04Å; F42-L199 HydrophobicContact CE2-CD1 4.18Å; F42-L199 HydrophobicContact CG-CD1 3.71Å; F42-L199 HydrophobicContact CZ-CB 3.73Å; F42-L199 HydrophobicContact CZ-CD1 4.43Å; F42-I200 HydrophobicContact CE2-CD1 4.01Å; F42-I200 HydrophobicContact CZ-CD1 3.86Å |
| 43 | K | 98.1 | Very high | 82 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 116.7 | 164.7 | 179.8 | 171 | 171.9 | 174 | 0 | 109.1 | W95 Y110 I112 Q115 C116 | K43-W95 HydrophobicContact CD-CZ2 4.37Å; K43-Y110 WeakPolarHBondContact CE-O 3.17Å; K43-Y110 PolarHBondContact NZ-O 3.41Å; K43-I112 PolarHBondContact NZ-O 3.05Å; K43-Q115 PolarHBondContact O-N 3.07Å; K43-C116 PolarHBondContact O-N 2.86Å |
| 44 | L | 98.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.1 | 173.9 | -173.6 | 154.4 | 0 | 0 | 0 | 108.8 | F42 L46 Y92 N93 V94 W95 C116 I118 F192 L195 | F42-L44 PolarHBondContact O-N 2.96Å; L44-L46 HydrophobicContact CD2-CB 4.18Å; L44-Y92 HydrophobicContact CB-CD1 4.05Å; L44-Y92 HydrophobicContact CD1-CD1 3.85Å; L44-Y92 HydrophobicContact CD1-CE1 4.32Å; L44-Y92 HydrophobicContact CD1-CG 4.24Å; L44-N93 PolarHBondContact N-O 3.3Å; L44-V94 HydrophobicContact CB-CG2 4.33Å; L44-V94 HydrophobicContact CD2-CB 4.48Å; L44-V94 HydrophobicContact CD2-CG1 3.86Å; L44-V94 HydrophobicContact CD2-CG2 4.21Å; L44-V94 CarbonylContact O-C 3.54Å; L44-V94 WeakPolarHBondContact O-CA 3.39Å; L44-W95 PolarHBondContact O-N 3.2Å; L44-C116 WeakPolarHBondContact CA-O 3.3Å; L44-I118 HydrophobicContact CD1-CD1 4.04Å; L44-I118 HydrophobicContact CD1-CG1 4.28Å; L44-I118 HydrophobicContact CD2-CB 4.49Å; L44-I118 HydrophobicContact CD2-CD1 4.2Å; L44-I118 HydrophobicContact CD2-CG1 4.2Å; L44-F192 HydrophobicContact CD1-CD1 4.12Å; L44-F192 HydrophobicContact CD1-CE1 3.85Å; L44-L195 HydrophobicContact CD1-CD1 3.58Å; L44-L195 HydrophobicContact CG-CD1 4.47Å |
| 45 | V | 97.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128.4 | 172.3 | -64.5 | 0 | 0 | 0 | 0 | 110.3 | W95 Y111 A114 C116 A117 I118 L139 | V45-W95 HydrophobicContact CG1-CB 4.18Å; V45-Y111 HydrophobicContact CB-CD1 4.49Å; V45-Y111 HydrophobicContact CG1-CD1 4.45Å; V45-Y111 HydrophobicContact CG2-CD1 4.48Å; V45-A114 HydrophobicContact CB-CB 4.43Å; V45-A114 HydrophobicContact CG1-CB 3.72Å; V45-A114 HydrophobicContact CG2-CB 3.84Å; V45-C116 PolarHBondContact N-O 2.79Å; V45-C116 VanDerWaalsContact N-O 3.08Å; V45-A117 HydrophobicContact CG2-CB 3.57Å; V45-A117 CarbonylContact O-C 3.49Å; V45-A117 VanDerWaalsContact O-CA 3.25Å; V45-A117 WeakPolarHBondContact O-CA 3.47Å; V45-I118 PolarHBondContact O-N 2.98Å; V45-L139 HydrophobicContact CG2-CD1 3.39Å |
| 46 | L | 97.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 109 | -179.6 | 174.5 | 60.8 | 0 | 0 | 0 | 109.2 | L44 K54 F57 V58 V94 W95 T97 I118 M120 | L44-L46 HydrophobicContact CD2-CB 4.18Å; L46-K54 HydrophobicContact CD1-CB 4.44Å; L46-K54 HydrophobicContact CD1-CD 4.37Å; L46-K54 HydrophobicContact CD1-CG 4.17Å; L46-K54 HydrophobicContact CD2-CB 3.67Å; L46-K54 HydrophobicContact CD2-CG 4.3Å; L46-K54 HydrophobicContact CG-CB 3.86Å; L46-K54 HydrophobicContact CG-CD 4.02Å; L46-K54 HydrophobicContact CG-CG 3.98Å; L46-F57 HydrophobicContact CD2-CD1 4.39Å; L46-V58 HydrophobicContact CD2-CG2 3.29Å; L46-V94 HydrophobicContact CB-CG1 4.05Å; L46-V94 HydrophobicContact CD2-CG1 4.36Å; L46-W95 PolarHBondContact N-O 3.02Å; L46-T97 PolarHBondContact O-N 2.95Å; L46-T97 PolarHBondContact O-OG1 3.38Å; L46-I118 WeakPolarHBondContact CA-O 3.47Å; L46-I118 HydrophobicContact CD1-CB 3.73Å; L46-I118 HydrophobicContact CD1-CG2 3.61Å; L46-M120 HydrophobicContact CD1-CB 4.42Å; L46-M120 HydrophobicContact CD1-CE 4.04Å |
| 47 | V | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 165.2 | -171.5 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | K54 T97 Y111 I118 I119 M120 W135 | V47-K54 VanDerWaalsContact C-CD 3.43Å; V47-K54 WeakPolarHBondContact O-CD 3.41Å; V47-T97 HydrophobicContact CG1-CG2 4.27Å; V47-Y111 HydrophobicContact CG1-CD1 4.5Å; V47-Y111 HydrophobicContact CG1-CE1 3.57Å; V47-I118 PolarHBondContact N-O 2.95Å; V47-I119 HydrophobicContact CG2-CB 4.28Å; V47-I119 HydrophobicContact CG2-CG1 3.76Å; V47-I119 HydrophobicContact CG2-CG2 4.36Å; V47-I119 WeakPolarHBondContact O-CA 3.41Å; V47-M120 PolarHBondContact O-N 3.41Å; V47-W135 HydrophobicContact CB-CD2 4.47Å; V47-W135 HydrophobicContact CB-CE3 3.85Å; V47-W135 HydrophobicContact CB-CZ3 4.2Å; V47-W135 HydrophobicContact CG2-CB 4.35Å; V47-W135 HydrophobicContact CG2-CE3 4.38Å |
| 48 | G | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | 138.8 | 168.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K54 G99 M120 W135 | G48-K54 PolarHBondContact O-NZ 3.37Å; G48-G99 WeakPolarHBondContact O-CA 3.35Å; G48-M120 WeakPolarHBondContact CA-O 3.36Å; G48-W135 VanDerWaalsContact C-CE2 3.44Å; G48-W135 VanDerWaalsContact C-CZ2 3.42Å; G48-W135 VanDerWaalsContact O-CZ2 3.31Å; G48-W135 WeakPolarHBondContact O-CZ2 3.42Å | ||
| 49 | D | 94.2 | Very high | 94.1 | Very high | 24 Ų | 24 | 28.9 Ų | 28.9 | 13% | 0.128 | 16% | 0.157 | C | C | . | . | trans | -55.8 | 158.1 | -176.7 | -78.9 | 16.8 | 0 | 0 | 0 | 113.1 | T52 K54 T128 N131 W135 | D49-T52 HydrophobicContact CB-CG2 3.85Å; D49-T52 VanDerWaalsContact O-CG2 3.31Å; D49-T52 WeakPolarHBondContact O-CG2 3.47Å; D49-T52 PolarHBondContact O-OG1 3Å; D49-K54 PolarHBondContact O-NZ 3.4Å; D49-K54 VanDerWaalsContact O-NZ 3.08Å; D49-T128 HydrophobicContact CB-CG2 3.84Å; D49-T128 WeakPolarHBondContact OD2-CA 3.49Å; D49-N131 WeakPolarHBondContact OD1-CB 3.3Å; D49-N131 PolarHBondContact OD2-ND2 3.5Å; D49-W135 PolarHBondContact OD1-NE1 3.38Å | ||
| 50 | G | 92.4 | Very high | 94.6 | Very high | 19 Ų | 19 | 19.7 Ų | 19.7 | 20% | 0.196 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 141.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T52 G99 | G50-T52 VanDerWaalsContact C-N 3.29Å; G50-T52 PolarHBondContact O-N 2.92Å; G50-G99 VanDerWaalsContact N-C 3.31Å; G50-G99 PolarHBondContact N-O 3.41Å |
| 51 | G | 92.2 | Very high | 94.3 | Very high | 27 Ų | 27 | 17.8 Ų | 17.8 | 28% | 0.278 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G53 K154 | G51-G53 PolarHBondContact O-N 3.48Å; G51-K154 WeakPolarHBondContact O-CE 3.45Å; G51-K154 PolarHBondContact O-NZ 3.33Å |
| 52 | T | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -70 | -18 | 175.8 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | D49 G50 D122 T128 N153 | D49-T52 HydrophobicContact CB-CG2 3.85Å; D49-T52 VanDerWaalsContact O-CG2 3.31Å; D49-T52 WeakPolarHBondContact O-CG2 3.47Å; D49-T52 PolarHBondContact O-OG1 3Å; G50-T52 VanDerWaalsContact C-N 3.29Å; G50-T52 PolarHBondContact O-N 2.92Å; T52-D122 HydrophobicContact CG2-CB 4.28Å; T52-T128 HydrophobicContact CG2-CG2 3.88Å; T52-N153 PolarHBondContact O-ND2 3.22Å |
| 53 | G | 95 | Very high | 92.9 | Very high | 13 Ų | 13 | 20 Ų | 20 | 13% | 0.134 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 104.4 | 18.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G51 T56 F57 | G51-G53 PolarHBondContact O-N 3.48Å; G53-T56 PolarHBondContact O-N 2.67Å; G53-F57 WeakPolarHBondContact O-CB 3.36Å; G53-F57 PolarHBondContact O-N 2.99Å |
| 54 | K | 95.2 | Very high | 91.8 | Very high | 9 Ų | 9 | 18.8 Ų | 18.8 | 4% | 0.039 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -53.4 | -57.6 | 178.8 | -60.6 | -172.4 | -51 | -75.4 | 0 | 113.1 | L46 V47 G48 D49 T56 F57 V58 D96 T97 M120 | L46-K54 HydrophobicContact CD1-CB 4.44Å; L46-K54 HydrophobicContact CD1-CD 4.37Å; L46-K54 HydrophobicContact CD1-CG 4.17Å; L46-K54 HydrophobicContact CD2-CB 3.67Å; L46-K54 HydrophobicContact CD2-CG 4.3Å; L46-K54 HydrophobicContact CG-CB 3.86Å; L46-K54 HydrophobicContact CG-CD 4.02Å; L46-K54 HydrophobicContact CG-CG 3.98Å; V47-K54 VanDerWaalsContact C-CD 3.43Å; V47-K54 WeakPolarHBondContact O-CD 3.41Å; G48-K54 PolarHBondContact O-NZ 3.37Å; D49-K54 PolarHBondContact O-NZ 3.4Å; D49-K54 VanDerWaalsContact O-NZ 3.08Å; K54-T56 VanDerWaalsContact C-N 3.32Å; K54-T56 PolarHBondContact O-N 3.34Å; K54-F57 WeakPolarHBondContact O-CB 3.49Å; K54-F57 PolarHBondContact O-N 2.87Å; K54-F57 VanDerWaalsContact O-N 3.08Å; K54-V58 PolarHBondContact O-N 3.48Å; K54-D96 VanDerWaalsContact CB-OD1 3.26Å; K54-D96 WeakPolarHBondContact CB-OD1 3.44Å; K54-T97 WeakPolarHBondContact CE-O 3.35Å; K54-M120 HydrophobicContact CG-CB 4.07Å; K54-M120 HydrophobicContact CG-SD 3.98Å |
| 55 | T | 93.3 | Very high | 90.7 | Very high | 27 Ų | 27 | 25.2 Ų | 25.2 | 17% | 0.166 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 178.2 | -46.2 | 0 | 0 | 0 | 0 | 112.4 | F57 V58 K59 T73 D96 | T55-F57 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 3.42Å; T55-V58 PolarHBondContact O-N 3.47Å; T55-K59 HydrophobicContact CG2-CD 4.12Å; T55-K59 HydrophobicContact CG2-CG 4.26Å; T55-K59 WeakPolarHBondContact O-CB 3.36Å; T55-K59 WeakPolarHBondContact O-CG 3.14Å; T55-K59 PolarHBondContact O-N 3.15Å; T55-T73 PolarHBondContact OG1-OG1 2.74Å; T55-D96 WeakPolarHBondContact CA-OD2 3.37Å; T55-D96 WeakPolarHBondContact CB-OD2 3.42Å; T55-D96 WeakPolarHBondContact CG2-OD2 3.21Å; T55-D96 PolarHBondContact OG1-OD2 2.88Å |
| 56 | T | 93.6 | Very high | 89.7 | Confident | 28 Ų | 28 | 27.6 Ų | 27.6 | 17% | 0.172 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 176 | -50.7 | 0 | 0 | 0 | 0 | 111.7 | G53 K54 R60 F66 A182 | G53-T56 PolarHBondContact O-N 2.67Å; K54-T56 VanDerWaalsContact C-N 3.32Å; K54-T56 PolarHBondContact O-N 3.34Å; T56-R60 WeakPolarHBondContact O-CB 3.48Å; T56-R60 PolarHBondContact O-N 3.47Å; T56-F66 HydrophobicContact CG2-CD2 3.48Å; T56-F66 VanDerWaalsContact CG2-CD2 3.48Å; T56-F66 HydrophobicContact CG2-CE2 3.39Å; T56-F66 HydrophobicContact CG2-CG 4.4Å; T56-F66 HydrophobicContact CG2-CZ 4.23Å; T56-A182 HydrophobicContact CG2-CB 4.23Å |
| 57 | F | 94.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | 176.1 | 177.2 | -95.6 | 0 | 0 | 0 | 112.2 | L46 G53 K54 T55 H61 I118 M120 I180 A182 F188 P191 F192 | L46-F57 HydrophobicContact CD2-CD1 4.39Å; G53-F57 WeakPolarHBondContact O-CB 3.36Å; G53-F57 PolarHBondContact O-N 2.99Å; K54-F57 WeakPolarHBondContact O-CB 3.49Å; K54-F57 PolarHBondContact O-N 2.87Å; K54-F57 VanDerWaalsContact O-N 3.08Å; T55-F57 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 3.42Å; F57-H61 AromaticContact CE2-CE1 3.74Å; F57-H61 AromaticContact CZ-CE1 3.63Å; F57-H61 PolarHBondContact O-ND1 3.21Å; F57-I118 HydrophobicContact CE1-CD1 4.12Å; F57-M120 HydrophobicContact CB-CE 3.68Å; F57-M120 HydrophobicContact CD1-CE 3.88Å; F57-M120 HydrophobicContact CD2-CE 4.11Å; F57-M120 HydrophobicContact CG-CE 3.63Å; F57-I180 HydrophobicContact CD2-CD1 3.7Å; F57-I180 HydrophobicContact CE2-CD1 3.69Å; F57-A182 HydrophobicContact CB-CB 4.32Å; F57-F188 HydrophobicContact CB-CE2 4.43Å; F57-F188 AromaticContact CD2-CD2 3.67Å; F57-F188 HydrophobicContact CD2-CD2 3.67Å; F57-F188 AromaticContact CD2-CE2 3.24Å; F57-F188 HydrophobicContact CD2-CE2 3.24Å; F57-F188 HydrophobicContact CD2-CZ 4.1Å; F57-F188 AromaticContact CE2-CD2 3.62Å; F57-F188 HydrophobicContact CE2-CD2 3.62Å; F57-F188 AromaticContact CE2-CE2 3.64Å; F57-F188 HydrophobicContact CE2-CE2 3.64Å; F57-F188 HydrophobicContact CE2-CG 4.41Å; F57-F188 HydrophobicContact CE2-CZ 4.46Å; F57-F188 HydrophobicContact CG-CE2 4.03Å; F57-F188 WeakPolarHBondContact O-CZ 3.35Å; F57-P191 HydrophobicContact CZ-CG 4.36Å; F57-F192 AromaticContact CE1-CE2 3.42Å; F57-F192 HydrophobicContact CE1-CE2 3.42Å; F57-F192 VanDerWaalsContact CE1-CE2 3.42Å; F57-F192 AromaticContact CE1-CZ 3.65Å; F57-F192 HydrophobicContact CE1-CZ 3.65Å; F57-F192 HydrophobicContact CZ-CD2 4.23Å; F57-F192 AromaticContact CZ-CE2 3.43Å; F57-F192 HydrophobicContact CZ-CE2 3.43Å; F57-F192 VanDerWaalsContact CZ-CE2 3.43Å; F57-F192 HydrophobicContact CZ-CZ 4.15Å |
| 58 | V | 93.1 | Very high | 88 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.6 | -53 | 177.3 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | L46 K54 T55 R60 H61 L62 H79 V94 D96 | L46-V58 HydrophobicContact CD2-CG2 3.29Å; K54-V58 PolarHBondContact O-N 3.48Å; T55-V58 PolarHBondContact O-N 3.47Å; V58-R60 PolarHBondContact O-N 3.35Å; V58-H61 WeakPolarHBondContact O-CB 3.42Å; V58-H61 PolarHBondContact O-N 3.35Å; V58-L62 PolarHBondContact O-N 3.04Å; V58-L62 VanDerWaalsContact O-N 3.08Å; V58-H79 HydrophobicContact CG1-CB 3.41Å; V58-H79 VanDerWaalsContact CG1-CB 3.41Å; V58-H79 VanDerWaalsContact CG1-CG 3.46Å; V58-V94 HydrophobicContact CG1-CG1 4.43Å; V58-V94 HydrophobicContact CG2-CG1 3.66Å; V58-D96 HydrophobicContact CG2-CB 4.41Å |
| 59 | K | 89.8 | Confident | 87.4 | Confident | 64 Ų | 64 | 46.3 Ų | 46.3 | 28% | 0.278 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56.3 | -38.2 | -179.4 | -76 | -171.5 | 175 | -173.3 | 0 | 111.8 | T55 H61 L62 T63 E67 | T55-K59 HydrophobicContact CG2-CD 4.12Å; T55-K59 HydrophobicContact CG2-CG 4.26Å; T55-K59 WeakPolarHBondContact O-CB 3.36Å; T55-K59 WeakPolarHBondContact O-CG 3.14Å; T55-K59 PolarHBondContact O-N 3.15Å; K59-H61 VanDerWaalsContact C-N 3.32Å; K59-H61 PolarHBondContact O-N 3.2Å; K59-L62 PolarHBondContact O-N 3.06Å; K59-T63 PolarHBondContact O-N 3.01Å; K59-T63 PolarHBondContact O-OG1 3.35Å; K59-E67 IonicContact NZ-OE2 2.78Å |
| 60 | R | 87.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.5 | -26.2 | 179.2 | -176.7 | 169.1 | -164.4 | 136.6 | 21.7 | 113.7 | T56 V58 G64 A182 K183 N185 F188 L213 P215 P216 | T56-R60 WeakPolarHBondContact O-CB 3.48Å; T56-R60 PolarHBondContact O-N 3.47Å; V58-R60 PolarHBondContact O-N 3.35Å; R60-G64 WeakPolarHBondContact O-CA 3.38Å; R60-G64 PolarHBondContact O-N 2.84Å; R60-A182 WeakPolarHBondContact CD-O 3.45Å; R60-A182 PolarHBondContact NE-O 2.9Å; R60-A182 PolarHBondContact NH1-O 3.34Å; R60-K183 VanDerWaalsContact NH1-C 3.33Å; R60-K183 PolarHBondContact NH1-O 3.28Å; R60-N185 WeakPolarHBondContact CD-OD1 3.4Å; R60-N185 PolarHBondContact NE-OD1 3.49Å; R60-F188 HydrophobicContact CB-CE1 4.15Å; R60-F188 HydrophobicContact CB-CZ 3.63Å; R60-F188 HydrophobicContact CG-CE1 3.88Å; R60-F188 HydrophobicContact CG-CZ 3.7Å; R60-L213 WeakPolarHBondContact O-CD2 3.18Å; R60-P215 PolarHBondContact NH2-O 2.85Å; R60-P215 VanDerWaalsContact NH2-O 3.07Å; R60-P216 VanDerWaalsContact NH2-CA 3.3Å |
| 61 | H | 86.8 | Confident | 86.4 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.9 | -29.7 | 166.5 | -78.2 | 91.4 | 0 | 0 | 0 | 112.8 | F57 V58 K59 L81 F83 F188 F192 | F57-H61 AromaticContact CE2-CE1 3.74Å; F57-H61 AromaticContact CZ-CE1 3.63Å; F57-H61 PolarHBondContact O-ND1 3.21Å; V58-H61 WeakPolarHBondContact O-CB 3.42Å; V58-H61 PolarHBondContact O-N 3.35Å; K59-H61 VanDerWaalsContact C-N 3.32Å; K59-H61 PolarHBondContact O-N 3.2Å; H61-L81 HydrophobicContact CB-CD1 3.64Å; H61-L81 HydrophobicContact CB-CD2 3.86Å; H61-L81 HydrophobicContact CB-CG 4.37Å; H61-F83 AromaticContact CD2-CE1 3.97Å; H61-F83 AromaticContact CD2-CZ 3.73Å; H61-F188 HydrophobicContact CB-CE1 4.31Å; H61-F188 AromaticContact CD2-CD1 3.83Å; H61-F188 AromaticContact CD2-CE1 3.68Å; H61-F188 AromaticContact CE1-CD1 3.07Å; H61-F188 WeakPolarHBondContact CE1-CD1 3.33Å; H61-F188 AromaticContact CE1-CD2 3.76Å; H61-F188 AromaticContact CE1-CE1 2.95Å; H61-F188 WeakPolarHBondContact CE1-CE1 3.26Å; H61-F188 AromaticContact CE1-CE2 3.64Å; H61-F188 AromaticContact CE1-CG 3.47Å; H61-F188 VanDerWaalsContact CE1-CG 3.47Å; H61-F188 WeakPolarHBondContact CE1-CG 3.31Å; H61-F188 AromaticContact CE1-CZ 3.21Å; H61-F188 WeakPolarHBondContact CE1-CZ 3.19Å; H61-F188 PolarHBondContact CE1-O 3.08Å; H61-F188 AromaticContact CG-CE1 3.44Å; H61-F188 VanDerWaalsContact CG-CE1 3.44Å; H61-F188 AromaticContact CG-CZ 3.94Å; H61-F188 AromaticContact ND1-CD1 3.66Å; H61-F188 AromaticContact ND1-CE1 3Å; H61-F188 WeakPolarHBondContact ND1-CE1 3.49Å; H61-F188 AromaticContact ND1-CE2 3.88Å; H61-F188 AromaticContact ND1-CZ 3.09Å; H61-F188 WeakPolarHBondContact ND1-CZ 3.36Å; H61-F188 AromaticContact NE2-CD1 3.21Å; H61-F188 WeakPolarHBondContact NE2-CD1 3.49Å; H61-F188 AromaticContact NE2-CE1 3.41Å; H61-F188 WeakPolarHBondContact NE2-CE1 3.43Å; H61-F188 AromaticContact NE2-CG 3.81Å; H61-F188 PolarHBondContact NE2-O 3.23Å; H61-F192 AromaticContact CD2-CE2 3.96Å; H61-F192 AromaticContact CE1-CD2 4Å; H61-F192 AromaticContact CE1-CE2 3.35Å; H61-F192 WeakPolarHBondContact CE1-CE2 3.22Å; H61-F192 AromaticContact ND1-CE2 3.77Å; H61-F192 AromaticContact NE2-CD2 3.68Å; H61-F192 AromaticContact NE2-CE2 3.45Å; H61-F192 WeakPolarHBondContact NE2-CE2 3.46Å |
| 62 | L | 84.7 | Confident | 86 | Confident | 83 Ų | 83 | 56.8 Ų | 56.8 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -82.3 | -51.2 | -175.2 | -174.1 | 67 | 0 | 0 | 0 | 112.9 | V58 K59 L81 | V58-L62 PolarHBondContact O-N 3.04Å; V58-L62 VanDerWaalsContact O-N 3.08Å; K59-L62 PolarHBondContact O-N 3.06Å; L62-L81 HydrophobicContact CB-CD2 3.96Å; L62-L81 HydrophobicContact CD1-CD2 4.09Å |
| 63 | T | 80.4 | Confident | 85.3 | Confident | 78 Ų | 78 | 57.6 Ų | 57.6 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -9.2 | -173.4 | 65.8 | 0 | 0 | 0 | 0 | 113 | K59 E65 | K59-T63 PolarHBondContact O-N 3.01Å; K59-T63 PolarHBondContact O-OG1 3.35Å; T63-E65 PolarHBondContact O-N 2.94Å; T63-E65 WeakPolarHBondContact OG1-CB 3.43Å; T63-E65 PolarHBondContact OG1-N 2.86Å |
| 64 | G | 75.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 77 | -15.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | R60 A214 | R60-G64 WeakPolarHBondContact O-CA 3.38Å; R60-G64 PolarHBondContact O-N 2.84Å; G64-A214 WeakPolarHBondContact O-CB 3.39Å |
| 65 | E | 75.6 | Confident | 84.2 | Confident | 136 Ų | 136 | 65 Ų | 65 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | trans | -76.7 | 144.8 | -172.8 | -62.2 | -176.4 | 162.5 | 0 | 0 | 112.7 | T63 | T63-E65 PolarHBondContact O-N 2.94Å; T63-E65 WeakPolarHBondContact OG1-CB 3.43Å; T63-E65 PolarHBondContact OG1-N 2.86Å | ||
| 66 | F | 76.5 | Confident | 84 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 22% | 0.219 | 33% | 0.332 | C | S | . | . | trans | -97.6 | 114.7 | 171.6 | -174.8 | -98.2 | 0 | 0 | 0 | 110.7 | T56 K68 A182 K183 E217 | T56-F66 HydrophobicContact CG2-CD2 3.48Å; T56-F66 VanDerWaalsContact CG2-CD2 3.48Å; T56-F66 HydrophobicContact CG2-CE2 3.39Å; T56-F66 HydrophobicContact CG2-CG 4.4Å; T56-F66 HydrophobicContact CG2-CZ 4.23Å; F66-K68 HydrophobicContact CD1-CG 3.82Å; F66-K68 HydrophobicContact CE1-CG 3.98Å; F66-K68 PolarHBondContact O-N 2.85Å; F66-A182 WeakPolarHBondContact CD2-O 3.43Å; F66-K183 HydrophobicContact CD2-CB 4.41Å; F66-K183 HydrophobicContact CD2-CG 4.33Å; F66-K183 HydrophobicContact CE1-CD 4.37Å; F66-K183 HydrophobicContact CE1-CG 4.17Å; F66-K183 HydrophobicContact CE2-CB 3.72Å; F66-K183 HydrophobicContact CE2-CG 3.78Å; F66-K183 HydrophobicContact CZ-CB 4Å; F66-K183 HydrophobicContact CZ-CD 3.98Å; F66-K183 HydrophobicContact CZ-CG 3.69Å; F66-E217 HydrophobicContact CB-CG 3.79Å; F66-E217 HydrophobicContact CD1-CG 4.05Å; F66-E217 VanDerWaalsContact CD1-OE1 3.27Å; F66-E217 WeakPolarHBondContact CD1-OE1 3.25Å; F66-E217 WeakPolarHBondContact CD1-OE2 3.33Å; F66-E217 HydrophobicContact CG-CG 4.02Å | ||
| 67 | E | 78.1 | Confident | 83.9 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 36% | 0.355 | 34% | 0.342 | S | S | . | . | trans | -78.8 | 110 | 174.7 | -175.2 | 67.2 | -113.1 | 0 | 0 | 110.3 | K59 K69 | K59-E67 IonicContact NZ-OE2 2.78Å; E67-K69 WeakPolarHBondContact CG-O 3.32Å | ||
| 68 | K | 78.8 | Confident | 83.9 | Confident | 156 Ų | 156 | 71.4 Ų | 71.4 | 68% | 0.678 | 36% | 0.361 | S | S | * | . | trans | -78.1 | -27.6 | 178.4 | -66.2 | -177.5 | -176.4 | 177 | 0 | 113.1 | F66 E217 | F66-K68 HydrophobicContact CD1-CG 3.82Å; F66-K68 HydrophobicContact CE1-CG 3.98Å; F66-K68 PolarHBondContact O-N 2.85Å; K68-E217 VanDerWaalsContact CE-CD 3.45Å; K68-E217 WeakPolarHBondContact CE-OE1 3.39Å; K68-E217 WeakPolarHBondContact CE-OE2 3.21Å; K68-E217 IonicContact NZ-OE1 2.7Å | ||
| 69 | K | 83.1 | Confident | 84 | Confident | 162 Ų | 162 | 72.5 Ų | 72.5 | 70% | 0.704 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -89.3 | 124.9 | -176.1 | -69.4 | -178.7 | -179.6 | 177.1 | 0 | 109.5 | E67 V71 | E67-K69 WeakPolarHBondContact CG-O 3.32Å; K69-V71 PolarHBondContact O-N 2.97Å; K69-V71 VanDerWaalsContact O-N 3.15Å |
| 70 | Y | 82 | Confident | 84.2 | Confident | 137 Ų | 137 | 72.6 Ų | 72.6 | 54% | 0.537 | 37% | 0.374 | S | S | . | . | trans | -74.3 | 108.4 | 169.5 | 178.6 | -107.3 | 0 | 0 | 0 | 109.5 | A72 Q100 | Y70-A72 HydrophobicContact CE1-CB 4.11Å; Y70-Q100 PolarHBondContact OH-NE2 3.05Å | ||
| 71 | V | 82.6 | Confident | 84.5 | Confident | 112 Ų | 112 | 72.8 Ų | 72.8 | 68% | 0.679 | 38% | 0.375 | S | S | * | . | trans | -111.1 | 120.9 | 164.2 | -177 | 0 | 0 | 0 | 0 | 106.2 | K69 T73 | K69-V71 PolarHBondContact O-N 2.97Å; K69-V71 VanDerWaalsContact O-N 3.15Å; V71-T73 PolarHBondContact O-N 2.81Å | ||
| 72 | A | 84.1 | Confident | 84.8 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 34% | 0.339 | 39% | 0.388 | S | S | . | . | trans | -67 | 129.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y70 | Y70-A72 HydrophobicContact CE1-CB 4.11Š| ||
| 73 | T | 81.4 | Confident | 85.2 | Confident | 17 Ų | 17 | 71 Ų | 71 | 10% | 0.104 | 37% | 0.368 | C | S | . | . | trans | -57.8 | 139.2 | 170.2 | -41.4 | 0 | 0 | 0 | 0 | 109.6 | T55 V71 E77 A98 | T55-T73 PolarHBondContact OG1-OG1 2.74Å; V71-T73 PolarHBondContact O-N 2.81Å; T73-E77 HydrophobicContact CG2-CG 4.17Å; T73-A98 WeakPolarHBondContact O-CB 3.34Å | ||
| 74 | L | 83.7 | Confident | 85.8 | Confident | 162 Ų | 162 | 72.2 Ų | 72.2 | 85% | 0.848 | 37% | 0.368 | S | S | * | . | trans | -104.5 | 106.8 | 173.8 | -63.1 | 178.3 | 0 | 0 | 0 | 108.5 | V76 | L74-V76 PolarHBondContact O-N 3.46Š| ||
| 75 | G | 83.4 | Confident | 86.8 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 18% | 0.175 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 70.6 | -110.5 | -176 | 0 | 0 | 0 | 0 | 0 | 112 | A98 | G75-A98 PolarHBondContact O-N 3.27Š|
| 76 | V | 89.1 | Confident | 87.7 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 24% | 0.242 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 139.4 | -177.1 | 66.8 | 0 | 0 | 0 | 0 | 111.9 | L74 W95 D96 T97 Y110 | L74-V76 PolarHBondContact O-N 3.46Å; V76-W95 HydrophobicContact CG1-CE3 4.37Å; V76-W95 HydrophobicContact CG1-CZ3 4.49Å; V76-W95 HydrophobicContact CG2-CB 3.89Å; V76-W95 HydrophobicContact CG2-CD2 4.35Å; V76-W95 HydrophobicContact CG2-CE3 3.87Å; V76-W95 HydrophobicContact CG2-CG 4.42Å; V76-D96 WeakPolarHBondContact CA-O 3.43Å; V76-T97 HydrophobicContact CG2-CG2 4.37Å; V76-Y110 HydrophobicContact CB-CD1 4.15Å; V76-Y110 HydrophobicContact CB-CD2 4.43Å; V76-Y110 HydrophobicContact CB-CE1 4.04Å; V76-Y110 HydrophobicContact CB-CE2 4.33Å; V76-Y110 HydrophobicContact CB-CG 4.35Å; V76-Y110 HydrophobicContact CG1-CD1 3.71Å; V76-Y110 HydrophobicContact CG1-CE1 3.43Å; V76-Y110 VanDerWaalsContact CG1-CE1 3.43Å; V76-Y110 HydrophobicContact CG1-CG 4.41Å |
| 77 | E | 91.4 | Very high | 88.5 | Confident | 80 Ų | 80 | 73 Ų | 73 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137.3 | 165.7 | -65.9 | -177.5 | -175.5 | 0 | 0 | 109.7 | T73 H79 D96 | T73-E77 HydrophobicContact CG2-CG 4.17Å; E77-H79 VanDerWaalsContact CB-NE2 3.33Å; E77-H79 WeakPolarHBondContact CB-NE2 3.27Å; E77-H79 IonicContact OE2-CE1 2.81Å; E77-H79 PolarHBondContact OE2-CE1 3.34Å; E77-H79 IonicContact OE2-NE2 3.05Å; E77-H79 PolarHBondContact OE2-NE2 3.05Å; E77-D96 PolarHBondContact N-O 3.39Å; E77-D96 PolarHBondContact O-N 2.79Å |
| 78 | V | 94.4 | Very high | 89.3 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 42% | 0.418 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.6 | 179.8 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | N93 V94 W95 | V78-N93 HydrophobicContact CG1-CB 4.32Å; V78-V94 CarbonylContact C-O 3.6Å; V78-V94 WeakPolarHBondContact CA-O 3.48Å; V78-W95 HydrophobicContact CG2-CD2 3.85Å; V78-W95 HydrophobicContact CG2-CE3 4.39Å; V78-W95 HydrophobicContact CG2-CG 4.03Å; V78-W95 HydrophobicContact CG2-CZ2 4.27Å |
| 79 | H | 94.5 | Very high | 90 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 11% | 0.111 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.3 | -176.1 | -63.9 | -85.2 | 0 | 0 | 0 | 110.3 | V58 E77 L81 V94 | V58-H79 HydrophobicContact CG1-CB 3.41Å; V58-H79 VanDerWaalsContact CG1-CB 3.41Å; V58-H79 VanDerWaalsContact CG1-CG 3.46Å; E77-H79 VanDerWaalsContact CB-NE2 3.33Å; E77-H79 WeakPolarHBondContact CB-NE2 3.27Å; E77-H79 IonicContact OE2-CE1 2.81Å; E77-H79 PolarHBondContact OE2-CE1 3.34Å; E77-H79 IonicContact OE2-NE2 3.05Å; E77-H79 PolarHBondContact OE2-NE2 3.05Å; H79-L81 PolarHBondContact O-N 3.47Å; H79-V94 PolarHBondContact N-O 3.03Å; H79-V94 PolarHBondContact O-N 3.05Å |
| 80 | P | 94.6 | Very high | 90.6 | Very high | 66 Ų | 66 | 58 Ų | 58 | 43% | 0.429 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 116.9 | 174.8 | 30.2 | -31.9 | 0 | 0 | 0 | 110.3 | K91 | P80-K91 HydrophobicContact CB-CD 4.24Å; P80-K91 HydrophobicContact CB-CG 4.42Å |
| 81 | L | 93.6 | Very high | 91.3 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.8 | 174.8 | -58.9 | -175.5 | 0 | 0 | 0 | 110 | H61 L62 H79 F83 K91 Y92 V94 F192 | H61-L81 HydrophobicContact CB-CD1 3.64Å; H61-L81 HydrophobicContact CB-CD2 3.86Å; H61-L81 HydrophobicContact CB-CG 4.37Å; L62-L81 HydrophobicContact CB-CD2 3.96Å; L62-L81 HydrophobicContact CD1-CD2 4.09Å; H79-L81 PolarHBondContact O-N 3.47Å; L81-F83 HydrophobicContact CB-CE2 3.78Å; L81-F83 HydrophobicContact CB-CZ 4.48Å; L81-K91 CarbonylContact O-C 3.58Å; L81-K91 WeakPolarHBondContact O-CA 3.37Å; L81-Y92 PolarHBondContact N-O 3.48Å; L81-Y92 PolarHBondContact O-N 3.23Å; L81-V94 HydrophobicContact CD1-CG2 3.73Å; L81-V94 HydrophobicContact CG-CG2 4.03Å; L81-F192 HydrophobicContact CD1-CE1 4.03Å; L81-F192 HydrophobicContact CD1-CZ 3.76Å |
| 82 | V | 93.3 | Very high | 92 | Very high | 59 Ų | 59 | 46.8 Ų | 46.8 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.1 | -179.2 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | P38 A89 I90 K91 | P38-V82 HydrophobicContact CG-CG1 4.22Å; P38-V82 HydrophobicContact CG-CG2 4.28Å; V82-A89 HydrophobicContact CG1-CB 4.1Å; V82-I90 WeakPolarHBondContact CA-O 3.19Å; V82-K91 HydrophobicContact CG2-CB 4.35Å; V82-K91 HydrophobicContact CG2-CG 4.15Å |
| 83 | F | 93.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129.5 | 175.5 | -64.2 | -94.6 | 0 | 0 | 0 | 109.7 | H61 L81 A89 I90 Y92 F192 F207 P211 | H61-F83 AromaticContact CD2-CE1 3.97Å; H61-F83 AromaticContact CD2-CZ 3.73Å; L81-F83 HydrophobicContact CB-CE2 3.78Å; L81-F83 HydrophobicContact CB-CZ 4.48Å; F83-A89 WeakPolarHBondContact O-CA 3.47Å; F83-I90 PolarHBondContact N-O 3.42Å; F83-I90 PolarHBondContact O-N 2.8Å; F83-Y92 AromaticContact CD2-CD2 3.69Å; F83-Y92 HydrophobicContact CD2-CD2 3.69Å; F83-Y92 HydrophobicContact CD2-CE2 4.08Å; F83-Y92 AromaticContact CE2-CD2 3.77Å; F83-Y92 HydrophobicContact CE2-CD2 3.77Å; F83-Y92 HydrophobicContact CE2-CE2 4.37Å; F83-F192 HydrophobicContact CE1-CB 4.07Å; F83-F192 HydrophobicContact CE1-CD2 4.19Å; F83-F192 HydrophobicContact CE1-CG 4.1Å; F83-F192 HydrophobicContact CE2-CB 4.11Å; F83-F192 AromaticContact CE2-CD1 3.6Å; F83-F192 HydrophobicContact CE2-CD1 3.6Å; F83-F192 HydrophobicContact CE2-CD2 4.33Å; F83-F192 HydrophobicContact CE2-CE1 4.02Å; F83-F192 AromaticContact CE2-CG 3.76Å; F83-F192 HydrophobicContact CE2-CG 3.76Å; F83-F192 HydrophobicContact CZ-CB 3.81Å; F83-F192 AromaticContact CZ-CD1 3.71Å; F83-F192 HydrophobicContact CZ-CD1 3.71Å; F83-F192 AromaticContact CZ-CD2 3.58Å; F83-F192 HydrophobicContact CZ-CD2 3.58Å; F83-F192 HydrophobicContact CZ-CE1 4.12Å; F83-F192 HydrophobicContact CZ-CE2 4.01Å; F83-F192 AromaticContact CZ-CG 3.41Å; F83-F192 HydrophobicContact CZ-CG 3.41Å; F83-F192 VanDerWaalsContact CZ-CG 3.41Å; F83-F192 HydrophobicContact CZ-CZ 4.25Å; F83-F207 HydrophobicContact CB-CD1 4.23Å; F83-F207 HydrophobicContact CB-CE1 3.76Å; F83-F207 HydrophobicContact CB-CZ 3.91Å; F83-F207 HydrophobicContact CD1-CD2 4.03Å; F83-F207 HydrophobicContact CD1-CE1 4.25Å; F83-F207 AromaticContact CD1-CE2 3.47Å; F83-F207 HydrophobicContact CD1-CE2 3.47Å; F83-F207 VanDerWaalsContact CD1-CE2 3.47Å; F83-F207 AromaticContact CD1-CZ 3.59Å; F83-F207 HydrophobicContact CD1-CZ 3.59Å; F83-F207 AromaticContact CE1-CE2 3.95Å; F83-F207 HydrophobicContact CE1-CE2 3.95Å; F83-F207 HydrophobicContact CE1-CZ 4.28Å; F83-F207 HydrophobicContact CG-CE1 4.21Å; F83-F207 HydrophobicContact CG-CE2 4.19Å; F83-F207 AromaticContact CG-CZ 3.83Å; F83-F207 HydrophobicContact CG-CZ 3.83Å; F83-P211 HydrophobicContact CD1-CG 3.94Å; F83-P211 HydrophobicContact CE1-CG 3.78Å |
| 84 | H | 93.3 | Very high | 93.4 | Very high | 103 Ų | 103 | 45.9 Ų | 45.9 | 48% | 0.477 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122.1 | 177.7 | -67.5 | 85 | 0 | 0 | 0 | 109.7 | F207 V208 A209 | H84-F207 WeakPolarHBondContact O-CA 3.44Å; H84-V208 HydrophobicContact CB-CG2 4.03Å; H84-V208 WeakPolarHBondContact O-CG2 3.35Å; H84-V208 PolarHBondContact O-N 3.04Å; H84-A209 HydrophobicContact CB-CB 4.42Å |
| 85 | T | 95.3 | Very high | 94 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 167.9 | -175.8 | 83 | 0 | 0 | 0 | 0 | 111.5 | R87 G88 I90 L205 E206 F207 | T85-R87 PolarHBondContact O-N 3.34Å; T85-R87 WeakPolarHBondContact OG1-CA 3.12Å; T85-R87 PolarHBondContact OG1-N 2.69Å; T85-G88 WeakPolarHBondContact CB-O 3.36Å; T85-G88 WeakPolarHBondContact CG2-O 3.34Å; T85-G88 PolarHBondContact N-O 3.47Å; T85-G88 PolarHBondContact O-N 3.41Å; T85-G88 VanDerWaalsContact O-N 3.1Å; T85-G88 PolarHBondContact OG1-N 3.26Å; T85-G88 PolarHBondContact OG1-O 2.95Å; T85-I90 HydrophobicContact CG2-CD1 3.86Å; T85-I90 HydrophobicContact CG2-CG1 4.08Å; T85-L205 HydrophobicContact CG2-CD1 4.48Å; T85-L205 HydrophobicContact CG2-CD2 3.92Å; T85-L205 HydrophobicContact CG2-CG 4.37Å; T85-E206 CarbonylContact C-O 3.52Å; T85-E206 WeakPolarHBondContact CA-O 2.93Å; T85-E206 WeakPolarHBondContact CB-O 3.26Å; T85-F207 HydrophobicContact CG2-CD1 3.85Å; T85-F207 HydrophobicContact CG2-CE1 3.98Å |
| 86 | N | 94.9 | Very high | 94.5 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 31% | 0.305 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 4.6 | 168.7 | 65.6 | -15.8 | 0 | 0 | 0 | 113.9 | N204 L205 E206 V208 | N86-N204 PolarHBondContact ND2-O 3.18Å; N86-L205 WeakPolarHBondContact OD1-CA 3.42Å; N86-E206 PolarHBondContact N-O 3.11Å; N86-E206 PolarHBondContact OD1-N 3.09Å; N86-E206 PolarHBondContact OD1-O 3.17Å; N86-V208 HydrophobicContact CB-CG1 3.89Å |
| 87 | R | 94.6 | Very high | 94.6 | Very high | 139 Ų | 139 | 38.6 Ų | 38.6 | 53% | 0.525 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 10.2 | 173.3 | -57.6 | -63.4 | 178.5 | -98.2 | -7.2 | 113.1 | T85 D202 L205 | T85-R87 PolarHBondContact O-N 3.34Å; T85-R87 WeakPolarHBondContact OG1-CA 3.12Å; T85-R87 PolarHBondContact OG1-N 2.69Å; R87-D202 IonicContact CZ-OD2 3.23Å; R87-D202 IonicContact NE-OD2 3.63Å; R87-D202 PolarHBondContact NE-OD2 2.93Å; R87-D202 IonicContact NH2-OD2 2.73Å; R87-D202 PolarHBondContact NH2-OD2 3.27Å; R87-L205 HydrophobicContact CG-CD1 4.47Å |
| 88 | G | 93.7 | Very high | 94.3 | Very high | 39 Ų | 39 | 35.1 Ų | 35.1 | 40% | 0.402 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.5 | -176.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T85 | T85-G88 WeakPolarHBondContact CB-O 3.36Å; T85-G88 WeakPolarHBondContact CG2-O 3.34Å; T85-G88 PolarHBondContact N-O 3.47Å; T85-G88 PolarHBondContact O-N 3.41Å; T85-G88 VanDerWaalsContact O-N 3.1Å; T85-G88 PolarHBondContact OG1-N 3.26Å; T85-G88 PolarHBondContact OG1-O 2.95Å |
| 89 | A | 94.4 | Very high | 93.3 | Very high | 32 Ų | 32 | 32.4 Ų | 32.4 | 26% | 0.264 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 136.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P38 V82 F83 | P38-A89 HydrophobicContact CB-CB 4.19Å; P38-A89 HydrophobicContact CG-CB 4.34Å; V82-A89 HydrophobicContact CG1-CB 4.1Å; F83-A89 WeakPolarHBondContact O-CA 3.47Å |
| 90 | I | 95.6 | Very high | 92.2 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.7 | 172.6 | -62.7 | 178.5 | 0 | 0 | 0 | 108.2 | V40 F42 V82 F83 T85 Y92 A196 I200 L205 | V40-I90 HydrophobicContact CG1-CG1 4.49Å; F42-I90 HydrophobicContact CD2-CG2 3.72Å; F42-I90 HydrophobicContact CE2-CG2 3.8Å; V82-I90 WeakPolarHBondContact CA-O 3.19Å; F83-I90 PolarHBondContact N-O 3.42Å; F83-I90 PolarHBondContact O-N 2.8Å; T85-I90 HydrophobicContact CG2-CD1 3.86Å; T85-I90 HydrophobicContact CG2-CG1 4.08Å; I90-Y92 HydrophobicContact CG2-CD2 4.43Å; I90-Y92 HydrophobicContact CG2-CE2 3.96Å; I90-A196 HydrophobicContact CD1-CB 3.98Å; I90-I200 HydrophobicContact CD1-CD1 4.01Å; I90-I200 HydrophobicContact CD1-CG1 3.75Å; I90-L205 HydrophobicContact CD1-CD1 3.89Å |
| 91 | K | 96.5 | Very high | 90.6 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 7% | 0.065 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125 | 174.6 | -173.8 | -172.1 | -69.2 | 175.1 | 0 | 110.4 | E37 P38 V40 Q41 F42 P80 L81 V82 | E37-K91 IonicContact OE1-NZ 3.19Å; E37-K91 PolarHBondContact OE1-NZ 2.83Å; P38-K91 HydrophobicContact CB-CB 4.16Å; P38-K91 HydrophobicContact CG-CB 4.27Å; V40-K91 PolarHBondContact O-N 2.85Å; Q41-K91 CarbonylContact C-O 3.5Å; Q41-K91 WeakPolarHBondContact CA-O 3.01Å; Q41-K91 HydrophobicContact CB-CB 4.04Å; Q41-K91 HydrophobicContact CB-CD 4.49Å; F42-K91 PolarHBondContact N-O 3.41Å; P80-K91 HydrophobicContact CB-CD 4.24Å; P80-K91 HydrophobicContact CB-CG 4.42Å; L81-K91 CarbonylContact O-C 3.58Å; L81-K91 WeakPolarHBondContact O-CA 3.37Å; V82-K91 HydrophobicContact CG2-CB 4.35Å; V82-K91 HydrophobicContact CG2-CG 4.15Å |
| 92 | Y | 97.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 117.2 | 163.9 | -68.9 | -76.4 | 0 | 0 | 0 | 109.1 | F42 L44 L81 F83 I90 V94 F192 L195 A196 L199 | F42-Y92 HydrophobicContact CB-CD1 3.9Å; F42-Y92 HydrophobicContact CB-CE1 3.98Å; F42-Y92 HydrophobicContact CD2-CE1 4.07Å; F42-Y92 HydrophobicContact CG-CE1 4.38Å; F42-Y92 WeakPolarHBondContact O-CA 3.37Å; L44-Y92 HydrophobicContact CB-CD1 4.05Å; L44-Y92 HydrophobicContact CD1-CD1 3.85Å; L44-Y92 HydrophobicContact CD1-CE1 4.32Å; L44-Y92 HydrophobicContact CD1-CG 4.24Å; L81-Y92 PolarHBondContact N-O 3.48Å; L81-Y92 PolarHBondContact O-N 3.23Å; F83-Y92 AromaticContact CD2-CD2 3.69Å; F83-Y92 HydrophobicContact CD2-CD2 3.69Å; F83-Y92 HydrophobicContact CD2-CE2 4.08Å; F83-Y92 AromaticContact CE2-CD2 3.77Å; F83-Y92 HydrophobicContact CE2-CD2 3.77Å; F83-Y92 HydrophobicContact CE2-CE2 4.37Å; I90-Y92 HydrophobicContact CG2-CD2 4.43Å; I90-Y92 HydrophobicContact CG2-CE2 3.96Å; Y92-V94 PolarHBondContact O-N 2.66Å; Y92-F192 AromaticContact CD2-CD1 3.68Å; Y92-F192 HydrophobicContact CD2-CD1 3.68Å; Y92-F192 HydrophobicContact CD2-CE1 4.32Å; Y92-F192 HydrophobicContact CE2-CB 4.29Å; Y92-F192 AromaticContact CE2-CD1 3.96Å; Y92-F192 HydrophobicContact CE2-CD1 3.96Å; Y92-F192 HydrophobicContact CG-CD1 4.14Å; Y92-F192 HydrophobicContact CG-CE1 4.44Å; Y92-F192 PolarHBondContact OH-O 2.97Å; Y92-L195 HydrophobicContact CE1-CB 4.46Å; Y92-A196 WeakPolarHBondContact OH-CA 3.44Å; Y92-A196 WeakPolarHBondContact OH-CB 3.37Å; Y92-A196 PolarHBondContact OH-N 2.9Å; Y92-L199 HydrophobicContact CE1-CD1 3.8Å |
| 93 | N | 97.4 | Very high | 86.7 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 20% | 0.198 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 95.9 | 164.4 | -65.6 | -52.2 | 0 | 0 | 0 | 106.4 | F42 L44 V78 W95 | F42-N93 PolarHBondContact O-N 2.83Å; L44-N93 PolarHBondContact N-O 3.3Å; V78-N93 HydrophobicContact CG1-CB 4.32Å; N93-W95 VanDerWaalsContact O-CD1 3.31Å |
| 94 | V | 97.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116 | -175.6 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | L44 L46 V58 V78 H79 L81 Y92 D96 F192 | L44-V94 HydrophobicContact CB-CG2 4.33Å; L44-V94 HydrophobicContact CD2-CB 4.48Å; L44-V94 HydrophobicContact CD2-CG1 3.86Å; L44-V94 HydrophobicContact CD2-CG2 4.21Å; L44-V94 CarbonylContact O-C 3.54Å; L44-V94 WeakPolarHBondContact O-CA 3.39Å; L46-V94 HydrophobicContact CB-CG1 4.05Å; L46-V94 HydrophobicContact CD2-CG1 4.36Å; V58-V94 HydrophobicContact CG1-CG1 4.43Å; V58-V94 HydrophobicContact CG2-CG1 3.66Å; V78-V94 CarbonylContact C-O 3.6Å; V78-V94 WeakPolarHBondContact CA-O 3.48Å; H79-V94 PolarHBondContact N-O 3.03Å; H79-V94 PolarHBondContact O-N 3.05Å; L81-V94 HydrophobicContact CD1-CG2 3.73Å; L81-V94 HydrophobicContact CG-CG2 4.03Å; Y92-V94 PolarHBondContact O-N 2.66Å; V94-D96 PolarHBondContact O-N 3.44Å; V94-F192 HydrophobicContact CG2-CE1 4.2Å |
| 95 | W | 95.9 | Very high | 82.8 | Confident | 65 Ų | 65 | 49.3 Ų | 49.3 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 93.6 | 173.9 | -70 | 52.9 | 0 | 0 | 0 | 107.7 | K43 L44 V45 L46 V76 V78 N93 T97 Y110 | K43-W95 HydrophobicContact CD-CZ2 4.37Å; L44-W95 PolarHBondContact O-N 3.2Å; V45-W95 HydrophobicContact CG1-CB 4.18Å; L46-W95 PolarHBondContact N-O 3.02Å; V76-W95 HydrophobicContact CG1-CE3 4.37Å; V76-W95 HydrophobicContact CG1-CZ3 4.49Å; V76-W95 HydrophobicContact CG2-CB 3.89Å; V76-W95 HydrophobicContact CG2-CD2 4.35Å; V76-W95 HydrophobicContact CG2-CE3 3.87Å; V76-W95 HydrophobicContact CG2-CG 4.42Å; V78-W95 HydrophobicContact CG2-CD2 3.85Å; V78-W95 HydrophobicContact CG2-CE3 4.39Å; V78-W95 HydrophobicContact CG2-CG 4.03Å; V78-W95 HydrophobicContact CG2-CZ2 4.27Å; N93-W95 VanDerWaalsContact O-CD1 3.31Å; W95-T97 PolarHBondContact O-N 3.36Å; W95-Y110 HydrophobicContact CE3-CD1 4.36Å; W95-Y110 HydrophobicContact CZ3-CD1 4.14Å |
| 96 | D | 94 | Very high | 80.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 105.3 | 174.1 | -179.2 | 34.8 | 0 | 0 | 0 | 109.1 | K54 T55 V58 V76 E77 V94 | K54-D96 VanDerWaalsContact CB-OD1 3.26Å; K54-D96 WeakPolarHBondContact CB-OD1 3.44Å; T55-D96 WeakPolarHBondContact CA-OD2 3.37Å; T55-D96 WeakPolarHBondContact CB-OD2 3.42Å; T55-D96 WeakPolarHBondContact CG2-OD2 3.21Å; T55-D96 PolarHBondContact OG1-OD2 2.88Å; V58-D96 HydrophobicContact CG2-CB 4.41Å; V76-D96 WeakPolarHBondContact CA-O 3.43Å; E77-D96 PolarHBondContact N-O 3.39Å; E77-D96 PolarHBondContact O-N 2.79Å; V94-D96 PolarHBondContact O-N 3.44Å |
| 97 | T | 90.3 | Very high | 79.7 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 151.7 | -175.9 | 77.2 | 0 | 0 | 0 | 0 | 111.5 | L46 V47 K54 V76 W95 G99 | L46-T97 PolarHBondContact O-N 2.95Å; L46-T97 PolarHBondContact O-OG1 3.38Å; V47-T97 HydrophobicContact CG1-CG2 4.27Å; K54-T97 WeakPolarHBondContact CE-O 3.35Å; V76-T97 HydrophobicContact CG2-CG2 4.37Å; W95-T97 PolarHBondContact O-N 3.36Å; T97-G99 PolarHBondContact O-N 3.39Å |
| 98 | A | 84.9 | Confident | 78.6 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | trans | -68.1 | 136.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T73 G75 E101 | T73-A98 WeakPolarHBondContact O-CB 3.34Å; G75-A98 PolarHBondContact O-N 3.27Å; A98-E101 WeakPolarHBondContact CA-OE1 3.29Å; A98-E101 HydrophobicContact CB-CG 3.82Å; A98-E101 WeakPolarHBondContact CB-OE1 3.5Å; A98-E101 PolarHBondContact N-OE1 2.97Å; A98-E101 VanDerWaalsContact N-OE1 3.16Å; A98-E101 VanDerWaalsContact O-CG 3.28Å; A98-E101 WeakPolarHBondContact O-CG 3.33Å; A98-E101 VanDerWaalsContact O-OE1 3.05Å | ||
| 99 | G | 74.3 | Confident | 78.2 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -91.5 | 1.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G48 G50 T97 | G48-G99 WeakPolarHBondContact O-CA 3.35Å; G50-G99 VanDerWaalsContact N-C 3.31Å; G50-G99 PolarHBondContact N-O 3.41Å; T97-G99 PolarHBondContact O-N 3.39Å |
| 100 | Q | 70.4 | Confident | 77.9 | Confident | 105 Ų | 105 | 50.5 Ų | 50.5 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | trans | -106.8 | -2.2 | -170.7 | -68.9 | -68.2 | -12.4 | 0 | 0 | 113.5 | Y70 K102 | Y70-Q100 PolarHBondContact OH-NE2 3.05Å; Q100-K102 PolarHBondContact O-N 3.18Å | ||
| 101 | E | 62.3 | Low | 77.7 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 17% | 0.173 | 28% | 0.278 | C | S | . | . | trans | -72.2 | 104.9 | -166.6 | -12.4 | -162 | -165.4 | 0 | 0 | 110.9 | A98 F103 R107 | A98-E101 WeakPolarHBondContact CA-OE1 3.29Å; A98-E101 HydrophobicContact CB-CG 3.82Å; A98-E101 WeakPolarHBondContact CB-OE1 3.5Å; A98-E101 PolarHBondContact N-OE1 2.97Å; A98-E101 VanDerWaalsContact N-OE1 3.16Å; A98-E101 VanDerWaalsContact O-CG 3.28Å; A98-E101 WeakPolarHBondContact O-CG 3.33Å; A98-E101 VanDerWaalsContact O-OE1 3.05Å; E101-F103 PolarHBondContact O-N 3.27Å; E101-F103 VanDerWaalsContact O-N 3.16Å; E101-R107 PolarHBondContact O-NE 2.97Å; E101-R107 PolarHBondContact O-NH2 3.18Å | ||
| 102 | K | 56.1 | Low | 77.6 | Confident | 183 Ų | 183 | 54 Ų | 54 | 80% | 0.796 | 30% | 0.297 | S | S | * | . | trans | -72.9 | -2.1 | -176.4 | -66.1 | -178.1 | 178.5 | 179.3 | 0 | 113.8 | Q100 | Q100-K102 PolarHBondContact O-N 3.18Š| ||
| 103 | F | 47.4 | Very low | 77.4 | Confident | 173 Ų | 173 | 61.8 Ų | 61.8 | 76% | 0.759 | 33% | 0.333 | S | S | * | . | trans | -127.7 | 107.4 | -172.4 | -55.1 | -70.8 | 0 | 0 | 0 | 110.3 | E101 G105 | E101-F103 PolarHBondContact O-N 3.27Å; E101-F103 VanDerWaalsContact O-N 3.16Å; F103-G105 PolarHBondContact O-N 3.46Å; F103-G105 VanDerWaalsContact O-N 3.11Å | ||
| 104 | G | 52.3 | Low | 77.4 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 50% | 0.495 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -6.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 105 | G | 52.3 | Low | 77.5 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 72% | 0.722 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -33.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | F103 | F103-G105 PolarHBondContact O-N 3.46Å; F103-G105 VanDerWaalsContact O-N 3.11Å |
| 106 | L | 57.1 | Low | 77.6 | Confident | 129 Ų | 129 | 61 Ų | 61 | 68% | 0.675 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -18.3 | 179 | -77.9 | 163.7 | 0 | 0 | 0 | 113 | ||
| 107 | R | 68.3 | Low | 77.8 | Confident | 30 Ų | 30 | 61 Ų | 61 | 11% | 0.113 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.3 | -37.8 | -174.4 | -70.1 | -179.5 | 171.5 | -173.7 | -5.1 | 113.2 | E101 G109 Y110 W135 | E101-R107 PolarHBondContact O-NE 2.97Å; E101-R107 PolarHBondContact O-NH2 3.18Å; R107-G109 PolarHBondContact O-N 3.29Å; R107-Y110 WeakPolarHBondContact O-CB 3.42Å; R107-Y110 PolarHBondContact O-N 3.42Å; R107-W135 VanDerWaalsContact NH2-CH2 3.29Å |
| 108 | D | 73.1 | Confident | 78.2 | Confident | 54 Ų | 54 | 61 Ų | 61 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -35.4 | -177.7 | -68.3 | -1.7 | 0 | 0 | 0 | 111.5 | Y110 Y111 I112 V142 | D108-Y110 PolarHBondContact O-N 3.05Å; D108-Y111 PolarHBondContact O-N 3.49Å; D108-Y111 VanDerWaalsContact O-N 3.07Å; D108-I112 PolarHBondContact O-N 3.24Å; D108-V142 HydrophobicContact CB-CG2 3.94Å |
| 109 | G | 84.3 | Confident | 78.8 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.6 | -32 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R107 Y111 | R107-G109 PolarHBondContact O-N 3.29Å; G109-Y111 VanDerWaalsContact C-N 3.31Å; G109-Y111 PolarHBondContact O-N 3.08Å |
| 110 | Y | 88.6 | Confident | 80 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 18% | 0.18 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.2 | -26.7 | 177.1 | -56.8 | -37.6 | 0 | 0 | 0 | 112.4 | K43 V76 W95 R107 D108 | K43-Y110 WeakPolarHBondContact CE-O 3.17Å; K43-Y110 PolarHBondContact NZ-O 3.41Å; V76-Y110 HydrophobicContact CB-CD1 4.15Å; V76-Y110 HydrophobicContact CB-CD2 4.43Å; V76-Y110 HydrophobicContact CB-CE1 4.04Å; V76-Y110 HydrophobicContact CB-CE2 4.33Å; V76-Y110 HydrophobicContact CB-CG 4.35Å; V76-Y110 HydrophobicContact CG1-CD1 3.71Å; V76-Y110 HydrophobicContact CG1-CE1 3.43Å; V76-Y110 VanDerWaalsContact CG1-CE1 3.43Å; V76-Y110 HydrophobicContact CG1-CG 4.41Å; W95-Y110 HydrophobicContact CE3-CD1 4.36Å; W95-Y110 HydrophobicContact CZ3-CD1 4.14Å; R107-Y110 WeakPolarHBondContact O-CB 3.42Å; R107-Y110 PolarHBondContact O-N 3.42Å; D108-Y110 PolarHBondContact O-N 3.05Å |
| 111 | Y | 91.7 | Very high | 81.3 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -80 | -28 | -178.2 | -55 | -24.8 | 0 | 0 | 0 | 113.2 | V45 V47 D108 G109 Q113 A114 D138 L139 V142 C143 | V45-Y111 HydrophobicContact CB-CD1 4.49Å; V45-Y111 HydrophobicContact CG1-CD1 4.45Å; V45-Y111 HydrophobicContact CG2-CD1 4.48Å; V47-Y111 HydrophobicContact CG1-CD1 4.5Å; V47-Y111 HydrophobicContact CG1-CE1 3.57Å; D108-Y111 PolarHBondContact O-N 3.49Å; D108-Y111 VanDerWaalsContact O-N 3.07Å; G109-Y111 VanDerWaalsContact C-N 3.31Å; G109-Y111 PolarHBondContact O-N 3.08Å; Y111-Q113 PolarHBondContact O-N 3.47Å; Y111-A114 WeakPolarHBondContact O-CB 3.43Å; Y111-A114 PolarHBondContact O-N 2.66Å; Y111-D138 HydrophobicContact CE2-CB 4.29Å; Y111-L139 HydrophobicContact CD1-CD1 4.37Å; Y111-V142 HydrophobicContact CD2-CB 4.32Å; Y111-V142 HydrophobicContact CD2-CG2 4.01Å; Y111-C143 PolarHBondContact O-SG 2.97Å |
| 112 | I | 92.9 | Very high | 83 | Confident | 93 Ų | 93 | 54 Ų | 54 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | 126.8 | -176.7 | -66.2 | 172.8 | 0 | 0 | 0 | 111.4 | K43 D108 A114 V142 | K43-I112 PolarHBondContact NZ-O 3.05Å; D108-I112 PolarHBondContact O-N 3.24Å; I112-A114 PolarHBondContact O-N 3.33Å; I112-V142 HydrophobicContact CG1-CG1 4Å |
| 113 | Q | 94.9 | Very high | 85.1 | Confident | 163 Ų | 163 | 45.2 Ų | 45.2 | 76% | 0.762 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 19.5 | -179.2 | -59.8 | 169.6 | -5.9 | 0 | 0 | 115.1 | Y111 Q115 | Y111-Q113 PolarHBondContact O-N 3.47Å; Q113-Q115 PolarHBondContact O-N 3.27Å |
| 114 | A | 97.6 | Very high | 87.5 | Confident | 7 Ų | 7 | 39 Ų | 39 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | trans | -58.4 | 136.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V45 Y111 I112 I146 | V45-A114 HydrophobicContact CB-CB 4.43Å; V45-A114 HydrophobicContact CG1-CB 3.72Å; V45-A114 HydrophobicContact CG2-CB 3.84Å; Y111-A114 WeakPolarHBondContact O-CB 3.43Å; Y111-A114 PolarHBondContact O-N 2.66Å; I112-A114 PolarHBondContact O-N 3.33Å; A114-I146 HydrophobicContact CB-CD1 4.14Å; A114-I146 WeakPolarHBondContact O-CG2 3.4Å | ||
| 115 | Q | 98.4 | Very high | 89.6 | Confident | 81 Ų | 81 | 38.4 Ų | 38.4 | 38% | 0.379 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -102 | -20.7 | 177.9 | -68.9 | 161.2 | -77 | 0 | 0 | 111 | F42 K43 Q113 P147 L199 | F42-Q115 VanDerWaalsContact CA-OE1 3.26Å; F42-Q115 HydrophobicContact CB-CB 4.44Å; F42-Q115 HydrophobicContact CD1-CB 4.19Å; K43-Q115 PolarHBondContact O-N 3.07Å; Q113-Q115 PolarHBondContact O-N 3.27Å; Q115-P147 WeakPolarHBondContact O-CD 3.09Å; Q115-L199 HydrophobicContact CB-CD2 4.39Å; Q115-L199 WeakPolarHBondContact O-CD2 3.47Å |
| 116 | C | 98.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 165.4 | 174.6 | 56.9 | 0 | 0 | 0 | 0 | 110.8 | K43 L44 V45 P147 L195 L199 | K43-C116 PolarHBondContact O-N 2.86Å; L44-C116 WeakPolarHBondContact CA-O 3.3Å; V45-C116 PolarHBondContact N-O 2.79Å; V45-C116 VanDerWaalsContact N-O 3.08Å; C116-P147 VanDerWaalsContact CA-O 3.31Å; C116-P147 WeakPolarHBondContact CA-O 3.21Å; C116-P147 HydrophobicContact CB-CG 4.02Å; C116-L195 HydrophobicContact CB-CD1 4.19Å; C116-L195 HydrophobicContact CB-CD2 3.75Å; C116-L195 HydrophobicContact CB-CG 4.44Å; C116-L199 HydrophobicContact CB-CD1 3.99Å; C116-L199 HydrophobicContact CB-CD2 4.41Å |
| 117 | A | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 155.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V45 L139 I146 P147 I148 V149 | V45-A117 HydrophobicContact CG2-CB 3.57Å; V45-A117 CarbonylContact O-C 3.49Å; V45-A117 VanDerWaalsContact O-CA 3.25Å; V45-A117 WeakPolarHBondContact O-CA 3.47Å; A117-L139 HydrophobicContact CB-CD1 3.72Å; A117-L139 HydrophobicContact CB-CD2 3.8Å; A117-L139 HydrophobicContact CB-CG 4.41Å; A117-I146 HydrophobicContact CB-CD1 4.14Å; A117-P147 PolarHBondContact N-O 2.96Å; A117-I148 HydrophobicContact CB-CG1 4.12Å; A117-I148 HydrophobicContact CB-CG2 4.3Å; A117-I148 WeakPolarHBondContact O-CA 3.18Å; A117-V149 PolarHBondContact O-N 2.89Å |
| 118 | I | 98.6 | Very high | 95 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.1 | 163.9 | -63.8 | 175.1 | 0 | 0 | 0 | 107.7 | L44 V45 L46 V47 F57 V149 C151 P191 F192 L195 | L44-I118 HydrophobicContact CD1-CD1 4.04Å; L44-I118 HydrophobicContact CD1-CG1 4.28Å; L44-I118 HydrophobicContact CD2-CB 4.49Å; L44-I118 HydrophobicContact CD2-CD1 4.2Å; L44-I118 HydrophobicContact CD2-CG1 4.2Å; V45-I118 PolarHBondContact O-N 2.98Å; L46-I118 WeakPolarHBondContact CA-O 3.47Å; L46-I118 HydrophobicContact CD1-CB 3.73Å; L46-I118 HydrophobicContact CD1-CG2 3.61Å; V47-I118 PolarHBondContact N-O 2.95Å; F57-I118 HydrophobicContact CE1-CD1 4.12Å; I118-V149 CarbonylContact C-O 3.53Å; I118-V149 WeakPolarHBondContact CA-O 2.95Å; I118-V149 HydrophobicContact CG1-CB 4.44Å; I118-C151 HydrophobicContact CG2-CB 4.23Å; I118-P191 HydrophobicContact CD1-CB 3.85Å; I118-P191 HydrophobicContact CG1-CB 4.47Å; I118-F192 HydrophobicContact CD1-CZ 4.39Å; I118-L195 HydrophobicContact CD1-CD1 4.33Å; I118-L195 HydrophobicContact CG1-CD1 3.98Å |
| 119 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.1 | 169.6 | -53.3 | 179.1 | 0 | 0 | 0 | 107.4 | V47 V132 W135 H136 I148 V149 L150 C151 | V47-I119 HydrophobicContact CG2-CB 4.28Å; V47-I119 HydrophobicContact CG2-CG1 3.76Å; V47-I119 HydrophobicContact CG2-CG2 4.36Å; V47-I119 WeakPolarHBondContact O-CA 3.41Å; I119-V132 HydrophobicContact CG2-CG1 4.2Å; I119-V132 HydrophobicContact CG2-CG2 4.33Å; I119-W135 HydrophobicContact CG2-CB 4.11Å; I119-H136 HydrophobicContact CD1-CB 3.79Å; I119-I148 HydrophobicContact CD1-CG2 3.86Å; I119-I148 HydrophobicContact CG1-CG2 3.85Å; I119-V149 PolarHBondContact N-O 3.21Å; I119-L150 HydrophobicContact CB-CD1 4.11Å; I119-L150 HydrophobicContact CG2-CD1 4.13Å; I119-L150 WeakPolarHBondContact O-CA 3Å; I119-C151 PolarHBondContact O-N 3.47Å |
| 120 | M | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.5 | -176.1 | -167.3 | 179.1 | -69.6 | 0 | 0 | 111.9 | L46 V47 G48 K54 F57 C151 N153 I180 | L46-M120 HydrophobicContact CD1-CB 4.42Å; L46-M120 HydrophobicContact CD1-CE 4.04Å; V47-M120 PolarHBondContact O-N 3.41Å; G48-M120 WeakPolarHBondContact CA-O 3.36Å; K54-M120 HydrophobicContact CG-CB 4.07Å; K54-M120 HydrophobicContact CG-SD 3.98Å; F57-M120 HydrophobicContact CB-CE 3.68Å; F57-M120 HydrophobicContact CD1-CE 3.88Å; F57-M120 HydrophobicContact CD2-CE 4.11Å; F57-M120 HydrophobicContact CG-CE 3.63Å; M120-C151 WeakPolarHBondContact CA-O 3.21Å; M120-C151 HydrophobicContact CG-CB 4.47Å; M120-N153 HydrophobicContact CG-CB 4.05Å; M120-N153 HydrophobicContact SD-CB 4.01Å; M120-I180 HydrophobicContact CE-CD1 3.98Å |
| 121 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 168.6 | 167.4 | 72.7 | -87.7 | 0 | 0 | 0 | 110.9 | V123 Y129 V132 L150 C151 N153 V162 I167 Y177 | F121-V123 HydrophobicContact CE2-CG1 3.91Å; F121-V123 HydrophobicContact CZ-CG1 4.5Å; F121-Y129 AromaticContact CD1-CD2 3.92Å; F121-Y129 HydrophobicContact CD1-CD2 3.92Å; F121-Y129 HydrophobicContact CD2-CD2 4.02Å; F121-Y129 HydrophobicContact CD2-CG 4.35Å; F121-Y129 AromaticContact CE1-CD2 3.76Å; F121-Y129 HydrophobicContact CE1-CD2 3.76Å; F121-Y129 HydrophobicContact CE1-CE2 4.22Å; F121-Y129 AromaticContact CE2-CD2 3.9Å; F121-Y129 HydrophobicContact CE2-CD2 3.9Å; F121-Y129 HydrophobicContact CE2-CG 4.35Å; F121-Y129 HydrophobicContact CG-CD2 4.03Å; F121-Y129 AromaticContact CZ-CD2 3.77Å; F121-Y129 HydrophobicContact CZ-CD2 3.77Å; F121-Y129 HydrophobicContact CZ-CE2 4.31Å; F121-V132 HydrophobicContact CB-CG2 3.99Å; F121-V132 HydrophobicContact CD1-CG2 4.05Å; F121-V132 HydrophobicContact CG-CG2 4.3Å; F121-L150 HydrophobicContact CD1-CD1 3.79Å; F121-L150 HydrophobicContact CD1-CG 4.22Å; F121-L150 HydrophobicContact CE1-CD1 4Å; F121-L150 HydrophobicContact CE1-CD2 4.13Å; F121-L150 HydrophobicContact CE1-CG 3.91Å; F121-C151 WeakPolarHBondContact CD1-O 3.07Å; F121-C151 PolarHBondContact N-O 3.08Å; F121-N153 PolarHBondContact O-N 3.2Å; F121-V162 HydrophobicContact CE2-CB 4.19Å; F121-V162 HydrophobicContact CE2-CG1 3.86Å; F121-V162 HydrophobicContact CZ-CG1 4.47Å; F121-I167 HydrophobicContact CE2-CD1 4.46Å; F121-I167 HydrophobicContact CZ-CD1 3.91Å; F121-I167 HydrophobicContact CZ-CG1 4.07Å; F121-I167 HydrophobicContact CZ-CG2 4.42Å; F121-Y177 AromaticContact CE1-CE2 3.69Å; F121-Y177 HydrophobicContact CE1-CE2 3.69Å; F121-Y177 AromaticContact CZ-CE2 3.78Å; F121-Y177 HydrophobicContact CZ-CE2 3.78Å |
| 122 | D | 98.2 | Very high | 97.4 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 6% | 0.059 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.4 | 178.8 | -178.3 | -8.8 | 0 | 0 | 0 | 109.8 | T52 T124 S125 T128 K154 | T52-D122 HydrophobicContact CG2-CB 4.28Å; D122-T124 PolarHBondContact O-N 3.23Å; D122-T124 VanDerWaalsContact O-N 3.14Å; D122-T124 PolarHBondContact OD1-N 2.73Å; D122-T124 PolarHBondContact OD1-OG1 3.18Å; D122-T124 PolarHBondContact OD2-OG1 3.05Å; D122-S125 PolarHBondContact O-N 3.19Å; D122-T128 HydrophobicContact CB-CG2 4.32Å; D122-T128 PolarHBondContact N-OG1 3.08Å; D122-T128 PolarHBondContact O-OG1 2.98Å; D122-K154 WeakPolarHBondContact OD1-CD 3.47Å; D122-K154 WeakPolarHBondContact OD2-CD 2.87Å; D122-K154 VanDerWaalsContact OD2-CE 3.25Å; D122-K154 WeakPolarHBondContact OD2-CE 3.35Å; D122-K154 IonicContact OD2-NZ 2.68Å; D122-K154 PolarHBondContact OD2-NZ 3.26Å |
| 123 | V | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.2 | -179 | -55.7 | 0 | 0 | 0 | 0 | 113.2 | F121 N153 V155 R160 K161 V162 | F121-V123 HydrophobicContact CE2-CG1 3.91Å; F121-V123 HydrophobicContact CZ-CG1 4.5Å; V123-N153 WeakPolarHBondContact CG2-O 3.37Å; V123-N153 PolarHBondContact N-O 2.84Å; V123-V155 HydrophobicContact CG1-CG1 4Å; V123-V155 HydrophobicContact CG2-CG1 4.1Å; V123-R160 HydrophobicContact CB-CG 4.08Å; V123-R160 HydrophobicContact CG2-CG 4.06Å; V123-K161 WeakPolarHBondContact O-CA 3.13Å; V123-K161 PolarHBondContact O-N 3.25Å; V123-V162 PolarHBondContact O-N 2.83Å |
| 124 | T | 97.9 | Very high | 97.4 | Very high | 41 Ų | 41 | 38.5 Ų | 38.5 | 25% | 0.252 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -3.4 | 174.5 | 76.3 | 0 | 0 | 0 | 0 | 112.8 | D122 I157 K161 | D122-T124 PolarHBondContact O-N 3.23Å; D122-T124 VanDerWaalsContact O-N 3.14Å; D122-T124 PolarHBondContact OD1-N 2.73Å; D122-T124 PolarHBondContact OD1-OG1 3.18Å; D122-T124 PolarHBondContact OD2-OG1 3.05Å; T124-I157 HydrophobicContact CG2-CB 3.66Å; T124-I157 HydrophobicContact CG2-CD1 3.77Å; T124-I157 HydrophobicContact CG2-CG1 4.26Å; T124-I157 HydrophobicContact CG2-CG2 3.71Å; T124-K161 WeakPolarHBondContact O-CG 3.47Å |
| 125 | S | 97.7 | Very high | 97.3 | Very high | 36 Ų | 36 | 38.6 Ų | 38.6 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | trans | -133.6 | 101.1 | -175.2 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | D122 V127 T128 | D122-S125 PolarHBondContact O-N 3.19Å; S125-V127 PolarHBondContact O-N 3.17Å; S125-V127 WeakPolarHBondContact OG-CG1 3.5Å; S125-T128 PolarHBondContact O-N 2.81Å; S125-T128 VanDerWaalsContact O-N 3.09Å; S125-T128 PolarHBondContact O-OG1 2.87Å | ||
| 126 | R | 97.1 | Very high | 97.1 | Very high | 180 Ų | 180 | 35.7 Ų | 35.7 | 68% | 0.679 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -57.2 | -35.3 | -177.2 | -65.5 | -174.7 | 178.2 | 175.3 | 2.5 | 113.7 | T128 Y129 K130 K161 V162 | R126-T128 VanDerWaalsContact C-N 3.25Å; R126-T128 PolarHBondContact O-N 3.42Å; R126-Y129 PolarHBondContact O-N 3.41Å; R126-K130 PolarHBondContact O-N 3.15Å; R126-K161 HydrophobicContact CG-CB 3.94Å; R126-K161 PolarHBondContact NE-O 2.96Å; R126-V162 HydrophobicContact CB-CG2 4.46Å; R126-V162 HydrophobicContact CG-CG2 4.14Å |
| 127 | V | 96.4 | Very high | 96.9 | Very high | 82 Ų | 82 | 41.2 Ų | 41.2 | 50% | 0.497 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61 | -37 | 180 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | S125 Y129 K130 N131 | S125-V127 PolarHBondContact O-N 3.17Å; S125-V127 WeakPolarHBondContact OG-CG1 3.5Å; V127-Y129 VanDerWaalsContact C-N 3.31Å; V127-Y129 PolarHBondContact O-N 2.86Å; V127-K130 PolarHBondContact O-N 2.79Å; V127-N131 PolarHBondContact O-N 2.72Å; V127-N131 PolarHBondContact O-ND2 3.02Å |
| 128 | T | 97.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.6 | -35 | -179.5 | 68.6 | 0 | 0 | 0 | 0 | 112.1 | D49 T52 D122 S125 R126 | D49-T128 HydrophobicContact CB-CG2 3.84Å; D49-T128 WeakPolarHBondContact OD2-CA 3.49Å; T52-T128 HydrophobicContact CG2-CG2 3.88Å; D122-T128 HydrophobicContact CB-CG2 4.32Å; D122-T128 PolarHBondContact N-OG1 3.08Å; D122-T128 PolarHBondContact O-OG1 2.98Å; S125-T128 PolarHBondContact O-N 2.81Å; S125-T128 VanDerWaalsContact O-N 3.09Å; S125-T128 PolarHBondContact O-OG1 2.87Å; R126-T128 VanDerWaalsContact C-N 3.25Å; R126-T128 PolarHBondContact O-N 3.42Å |
| 129 | Y | 98.1 | Very high | 96.3 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 13% | 0.129 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.8 | -41 | 173 | -177.9 | -108 | 0 | 0 | 0 | 111.8 | F121 R126 V127 N131 V132 L150 V162 S166 I167 V168 F169 | F121-Y129 AromaticContact CD1-CD2 3.92Å; F121-Y129 HydrophobicContact CD1-CD2 3.92Å; F121-Y129 HydrophobicContact CD2-CD2 4.02Å; F121-Y129 HydrophobicContact CD2-CG 4.35Å; F121-Y129 AromaticContact CE1-CD2 3.76Å; F121-Y129 HydrophobicContact CE1-CD2 3.76Å; F121-Y129 HydrophobicContact CE1-CE2 4.22Å; F121-Y129 AromaticContact CE2-CD2 3.9Å; F121-Y129 HydrophobicContact CE2-CD2 3.9Å; F121-Y129 HydrophobicContact CE2-CG 4.35Å; F121-Y129 HydrophobicContact CG-CD2 4.03Å; F121-Y129 AromaticContact CZ-CD2 3.77Å; F121-Y129 HydrophobicContact CZ-CD2 3.77Å; F121-Y129 HydrophobicContact CZ-CE2 4.31Å; R126-Y129 PolarHBondContact O-N 3.41Å; V127-Y129 VanDerWaalsContact C-N 3.31Å; V127-Y129 PolarHBondContact O-N 2.86Å; Y129-N131 PolarHBondContact O-N 3.27Å; Y129-N131 VanDerWaalsContact O-N 3.15Å; Y129-V132 HydrophobicContact CD2-CG2 4.15Å; Y129-V132 VanDerWaalsContact O-CB 3.3Å; Y129-V132 WeakPolarHBondContact O-CB 3.35Å; Y129-V132 WeakPolarHBondContact O-CG2 3.45Å; Y129-V132 PolarHBondContact O-N 3.2Å; Y129-L150 HydrophobicContact CE2-CD2 4.35Å; Y129-V162 HydrophobicContact CD1-CG1 4.03Å; Y129-V162 HydrophobicContact CD2-CG1 4.35Å; Y129-V162 HydrophobicContact CG-CG1 3.87Å; Y129-S166 VanDerWaalsContact CE1-O 3.25Å; Y129-S166 WeakPolarHBondContact CE1-O 3.4Å; Y129-S166 PolarHBondContact OH-O 2.98Å; Y129-I167 HydrophobicContact CE2-CB 4.4Å; Y129-I167 HydrophobicContact CE2-CG1 4.26Å; Y129-I167 HydrophobicContact CE2-CG2 3.99Å; Y129-I167 VanDerWaalsContact OH-CA 3.3Å; Y129-I167 WeakPolarHBondContact OH-CA 3.26Å; Y129-V168 PolarHBondContact OH-N 2.93Å; Y129-F169 HydrophobicContact CE2-CB 4.45Å; Y129-F169 WeakPolarHBondContact OH-CB 3.5Å; Y129-F169 PolarHBondContact OH-N 3.17Å; Y129-F169 VanDerWaalsContact OH-N 3.08Å |
| 130 | K | 96.6 | Very high | 96.1 | Very high | 166 Ų | 166 | 44.8 Ų | 44.8 | 72% | 0.722 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -57.9 | -28.2 | 174.7 | -171.9 | 175.7 | -179.2 | 175.3 | 0 | 112.5 | R126 V127 P133 | R126-K130 PolarHBondContact O-N 3.15Å; V127-K130 PolarHBondContact O-N 2.79Å; K130-P133 WeakPolarHBondContact O-CD 3.44Å |
| 131 | N | 95.8 | Very high | 95.8 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -10.9 | 178.2 | -71.9 | -23.3 | 0 | 0 | 0 | 114.5 | D49 V127 Y129 P133 N134 W135 | D49-N131 WeakPolarHBondContact OD1-CB 3.3Å; D49-N131 PolarHBondContact OD2-ND2 3.5Å; V127-N131 PolarHBondContact O-N 2.72Å; V127-N131 PolarHBondContact O-ND2 3.02Å; Y129-N131 PolarHBondContact O-N 3.27Å; Y129-N131 VanDerWaalsContact O-N 3.15Å; N131-P133 VanDerWaalsContact C-CD 3.47Å; N131-N134 WeakPolarHBondContact O-CB 3.21Å; N131-N134 PolarHBondContact O-N 2.94Å; N131-W135 VanDerWaalsContact O-CD1 3.26Å; N131-W135 PolarHBondContact O-N 3.13Å |
| 132 | V | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52.7 | -44 | 178 | 167.5 | 0 | 0 | 0 | 0 | 113.1 | I119 F121 Y129 N134 W135 H136 L150 F169 | I119-V132 HydrophobicContact CG2-CG1 4.2Å; I119-V132 HydrophobicContact CG2-CG2 4.33Å; F121-V132 HydrophobicContact CB-CG2 3.99Å; F121-V132 HydrophobicContact CD1-CG2 4.05Å; F121-V132 HydrophobicContact CG-CG2 4.3Å; Y129-V132 HydrophobicContact CD2-CG2 4.15Å; Y129-V132 VanDerWaalsContact O-CB 3.3Å; Y129-V132 WeakPolarHBondContact O-CB 3.35Å; Y129-V132 WeakPolarHBondContact O-CG2 3.45Å; Y129-V132 PolarHBondContact O-N 3.2Å; V132-N134 PolarHBondContact O-N 3.34Å; V132-W135 PolarHBondContact O-N 3.25Å; V132-H136 WeakPolarHBondContact O-CB 3.31Å; V132-H136 PolarHBondContact O-N 3.23Å; V132-L150 HydrophobicContact CB-CD1 4.47Å; V132-L150 HydrophobicContact CG1-CD1 3.63Å; V132-L150 HydrophobicContact CG1-CD2 4.47Å; V132-L150 HydrophobicContact CG2-CD1 3.93Å; V132-F169 HydrophobicContact CG1-CD1 3.49Å; V132-F169 VanDerWaalsContact CG1-CD1 3.49Å; V132-F169 HydrophobicContact CG1-CE1 3.73Å; V132-F169 HydrophobicContact CG1-CG 4.12Å |
| 133 | P | 96.2 | Very high | 95.3 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.8 | -34.1 | 176.8 | -24.8 | 34.7 | 0 | 0 | 0 | 113.8 | K130 N131 R137 F169 | K130-P133 WeakPolarHBondContact O-CD 3.44Å; N131-P133 VanDerWaalsContact C-CD 3.47Å; P133-R137 VanDerWaalsContact O-CB 3.25Å; P133-R137 WeakPolarHBondContact O-CB 3.37Å; P133-R137 PolarHBondContact O-N 3.03Å; P133-F169 HydrophobicContact CB-CD2 4.34Å; P133-F169 HydrophobicContact CB-CE2 3.72Å; P133-F169 HydrophobicContact CB-CZ 4.26Å; P133-F169 HydrophobicContact CG-CD2 3.82Å; P133-F169 HydrophobicContact CG-CE2 3.72Å; P133-F169 HydrophobicContact CG-CZ 4.47Å |
| 134 | N | 93.4 | Very high | 94.9 | Very high | 61 Ų | 61 | 62 Ų | 62 | 33% | 0.326 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.9 | -49.7 | 177.4 | -65.2 | -39.1 | 0 | 0 | 0 | 110.6 | N131 V132 H136 R137 D138 | N131-N134 WeakPolarHBondContact O-CB 3.21Å; N131-N134 PolarHBondContact O-N 2.94Å; V132-N134 PolarHBondContact O-N 3.34Å; N134-H136 VanDerWaalsContact C-N 3.3Å; N134-H136 PolarHBondContact O-N 3.12Å; N134-R137 PolarHBondContact O-N 3.39Å; N134-R137 PolarHBondContact OD1-NH1 3.37Å; N134-R137 PolarHBondContact OD1-NH2 2.95Å; N134-R137 VanDerWaalsContact OD1-NH2 3.12Å; N134-D138 PolarHBondContact O-N 2.86Å |
| 135 | W | 94.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 67.6 Ų | 67.6 | 3% | 0.034 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 176.2 | -70.9 | 109.5 | 0 | 0 | 0 | 112.3 | V47 G48 D49 R107 I119 N131 V132 L139 | V47-W135 HydrophobicContact CB-CD2 4.47Å; V47-W135 HydrophobicContact CB-CE3 3.85Å; V47-W135 HydrophobicContact CB-CZ3 4.2Å; V47-W135 HydrophobicContact CG2-CB 4.35Å; V47-W135 HydrophobicContact CG2-CE3 4.38Å; G48-W135 VanDerWaalsContact C-CE2 3.44Å; G48-W135 VanDerWaalsContact C-CZ2 3.42Å; G48-W135 VanDerWaalsContact O-CZ2 3.31Å; G48-W135 WeakPolarHBondContact O-CZ2 3.42Å; D49-W135 PolarHBondContact OD1-NE1 3.38Å; R107-W135 VanDerWaalsContact NH2-CH2 3.29Å; I119-W135 HydrophobicContact CG2-CB 4.11Å; N131-W135 VanDerWaalsContact O-CD1 3.26Å; N131-W135 PolarHBondContact O-N 3.13Å; V132-W135 PolarHBondContact O-N 3.25Å; W135-L139 VanDerWaalsContact O-CB 3.26Å; W135-L139 WeakPolarHBondContact O-CB 3.4Å; W135-L139 PolarHBondContact O-N 3.29Å |
| 136 | H | 95.2 | Very high | 94.6 | Very high | 20 Ų | 20 | 67.2 Ų | 67.2 | 9% | 0.093 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 175.9 | 176.3 | -81.1 | 0 | 0 | 0 | 111.7 | I119 V132 N134 D138 L139 V140 F169 | I119-H136 HydrophobicContact CD1-CB 3.79Å; V132-H136 WeakPolarHBondContact O-CB 3.31Å; V132-H136 PolarHBondContact O-N 3.23Å; N134-H136 VanDerWaalsContact C-N 3.3Å; N134-H136 PolarHBondContact O-N 3.12Å; H136-D138 VanDerWaalsContact C-N 3.32Å; H136-D138 PolarHBondContact O-N 3.43Å; H136-L139 PolarHBondContact O-N 2.94Å; H136-V140 WeakPolarHBondContact O-CG1 3.43Å; H136-V140 WeakPolarHBondContact O-CG2 3.46Å; H136-V140 PolarHBondContact O-N 2.96Å; H136-F169 HydrophobicContact CB-CE1 3.74Å; H136-F169 HydrophobicContact CB-CZ 3.6Å; H136-F169 AromaticContact CD2-CE1 3.93Å; H136-F169 AromaticContact CG-CE1 3.79Å; H136-F169 AromaticContact CG-CZ 3.61Å; H136-F169 AromaticContact ND1-CZ 3.97Å |
| 137 | R | 93.1 | Very high | 94.6 | Very high | 116 Ų | 116 | 60 Ų | 60 | 44% | 0.438 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.9 | -46.5 | 179.3 | 177.9 | -170.2 | 63.3 | -132.1 | -9.6 | 111.5 | P133 N134 R141 | P133-R137 VanDerWaalsContact O-CB 3.25Å; P133-R137 WeakPolarHBondContact O-CB 3.37Å; P133-R137 PolarHBondContact O-N 3.03Å; N134-R137 PolarHBondContact O-N 3.39Å; N134-R137 PolarHBondContact OD1-NH1 3.37Å; N134-R137 PolarHBondContact OD1-NH2 2.95Å; N134-R137 VanDerWaalsContact OD1-NH2 3.12Å; R137-R141 WeakPolarHBondContact O-CB 3.25Å; R137-R141 PolarHBondContact O-N 2.98Å; R137-R141 VanDerWaalsContact O-N 3.11Å |
| 138 | D | 91.4 | Very high | 94.8 | Very high | 29 Ų | 29 | 56.5 Ų | 56.5 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69 | -38 | -177.4 | -58.9 | -10.4 | 0 | 0 | 0 | 110.5 | Y111 N134 H136 | Y111-D138 HydrophobicContact CE2-CB 4.29Å; N134-D138 PolarHBondContact O-N 2.86Å; H136-D138 VanDerWaalsContact C-N 3.32Å; H136-D138 PolarHBondContact O-N 3.43Å |
| 139 | L | 92.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.6 | -52.7 | 174.6 | -175.2 | 104.5 | 0 | 0 | 0 | 112.3 | V45 Y111 A117 W135 H136 R141 V142 C143 I146 I148 | V45-L139 HydrophobicContact CG2-CD1 3.39Å; Y111-L139 HydrophobicContact CD1-CD1 4.37Å; A117-L139 HydrophobicContact CB-CD1 3.72Å; A117-L139 HydrophobicContact CB-CD2 3.8Å; A117-L139 HydrophobicContact CB-CG 4.41Å; W135-L139 VanDerWaalsContact O-CB 3.26Å; W135-L139 WeakPolarHBondContact O-CB 3.4Å; W135-L139 PolarHBondContact O-N 3.29Å; H136-L139 PolarHBondContact O-N 2.94Å; L139-R141 PolarHBondContact O-N 3.4Å; L139-V142 PolarHBondContact O-N 3.34Å; L139-V142 VanDerWaalsContact O-N 3.1Å; L139-C143 PolarHBondContact O-N 2.97Å; L139-I146 HydrophobicContact CD2-CD1 4.15Å; L139-I148 HydrophobicContact CD2-CD1 3.33Å; L139-I148 HydrophobicContact CD2-CG1 3.72Å |
| 140 | V | 94.2 | Very high | 94.9 | Very high | 47 Ų | 47 | 54.5 Ų | 54.5 | 29% | 0.285 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71.9 | -17.6 | -176.2 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | H136 V142 I148 | H136-V140 WeakPolarHBondContact O-CG1 3.43Å; H136-V140 WeakPolarHBondContact O-CG2 3.46Å; H136-V140 PolarHBondContact O-N 2.96Å; V140-V142 PolarHBondContact O-N 3.46Å; V140-I148 HydrophobicContact CG1-CD1 4.1Å |
| 141 | R | 92.7 | Very high | 95 | Very high | 165 Ų | 165 | 46.6 Ų | 46.6 | 62% | 0.623 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.3 | -32.6 | 169.7 | 179.6 | -176.3 | -70.1 | 178.2 | -2.7 | 111.9 | R137 L139 | R137-R141 WeakPolarHBondContact O-CB 3.25Å; R137-R141 PolarHBondContact O-N 2.98Å; R137-R141 VanDerWaalsContact O-N 3.11Å; L139-R141 PolarHBondContact O-N 3.4Å |
| 142 | V | 93.6 | Very high | 95.1 | Very high | 47 Ų | 47 | 44.5 Ų | 44.5 | 29% | 0.285 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -99.8 | -36.4 | -178.5 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | D108 Y111 I112 L139 V140 | D108-V142 HydrophobicContact CB-CG2 3.94Å; Y111-V142 HydrophobicContact CD2-CB 4.32Å; Y111-V142 HydrophobicContact CD2-CG2 4.01Å; I112-V142 HydrophobicContact CG1-CG1 4Å; L139-V142 PolarHBondContact O-N 3.34Å; L139-V142 VanDerWaalsContact O-N 3.1Å; V140-V142 PolarHBondContact O-N 3.46Å |
| 143 | C | 92.9 | Very high | 95.2 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -127 | 93.9 | -177.2 | -67.7 | 0 | 0 | 0 | 0 | 110.5 | Y111 L139 I146 | Y111-C143 PolarHBondContact O-SG 2.97Å; L139-C143 PolarHBondContact O-N 2.97Å; C143-I146 HydrophobicContact CB-CD1 3.77Å; C143-I146 HydrophobicContact CB-CG1 4.12Å; C143-I146 HydrophobicContact CB-CG2 4.12Å |
| 144 | E | 90.4 | Very high | 95.2 | Very high | 151 Ų | 151 | 44.6 Ų | 44.6 | 71% | 0.706 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 141 | 174.8 | -62.7 | -176.8 | -176.5 | 0 | 0 | 110.8 | I146 | E144-I146 VanDerWaalsContact C-N 3.31Å; E144-I146 PolarHBondContact O-N 2.96Å |
| 145 | N | 91.1 | Very high | 95.4 | Very high | 158 Ų | 158 | 41.7 Ų | 41.7 | 85% | 0.845 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 23.5 | 168.4 | -55.9 | -44.4 | 0 | 0 | 0 | 117.3 | ||
| 146 | I | 97.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 42.7 Ų | 42.7 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | trans | -80 | 147.9 | 171.3 | 62 | 167.8 | 0 | 0 | 0 | 111.6 | A114 A117 L139 C143 E144 I148 | A114-I146 HydrophobicContact CB-CD1 4.14Å; A114-I146 WeakPolarHBondContact O-CG2 3.4Å; A117-I146 HydrophobicContact CB-CD1 4.14Å; L139-I146 HydrophobicContact CD2-CD1 4.15Å; C143-I146 HydrophobicContact CB-CD1 3.77Å; C143-I146 HydrophobicContact CB-CG1 4.12Å; C143-I146 HydrophobicContact CB-CG2 4.12Å; E144-I146 VanDerWaalsContact C-N 3.31Å; E144-I146 PolarHBondContact O-N 2.96Å; I146-I148 HydrophobicContact CG1-CD1 4.4Å; I146-I148 HydrophobicContact CG1-CG1 4.07Å; I146-I148 WeakPolarHBondContact O-CG1 3.41Å; I146-I148 PolarHBondContact O-N 3.36Å | ||
| 147 | P | 98.3 | Very high | 95.3 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 20% | 0.195 | 22% | 0.216 | C | C | . | . | trans | -64.9 | 127.7 | 171.3 | 25.8 | -34.5 | 0 | 0 | 0 | 111 | Q115 C116 A117 W194 L195 K198 L199 | Q115-P147 WeakPolarHBondContact O-CD 3.09Å; C116-P147 VanDerWaalsContact CA-O 3.31Å; C116-P147 WeakPolarHBondContact CA-O 3.21Å; C116-P147 HydrophobicContact CB-CG 4.02Å; A117-P147 PolarHBondContact N-O 2.96Å; P147-W194 HydrophobicContact CB-CH2 4.31Å; P147-W194 HydrophobicContact CB-CZ3 3.86Å; P147-L195 HydrophobicContact CB-CD2 3.87Å; P147-L195 HydrophobicContact CG-CD2 4.23Å; P147-L195 WeakPolarHBondContact O-CD2 3.45Å; P147-K198 HydrophobicContact CB-CB 3.96Å; P147-K198 HydrophobicContact CB-CG 4.47Å; P147-K198 HydrophobicContact CG-CB 4.38Å; P147-L199 HydrophobicContact CG-CD2 3.74Å; P147-L199 HydrophobicContact CG-CG 4.02Å | ||
| 148 | I | 98.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.6 | -177.7 | -55.3 | 159.3 | 0 | 0 | 0 | 109.5 | A117 I119 L139 V140 I146 L175 | A117-I148 HydrophobicContact CB-CG1 4.12Å; A117-I148 HydrophobicContact CB-CG2 4.3Å; A117-I148 WeakPolarHBondContact O-CA 3.18Å; I119-I148 HydrophobicContact CD1-CG2 3.86Å; I119-I148 HydrophobicContact CG1-CG2 3.85Å; L139-I148 HydrophobicContact CD2-CD1 3.33Å; L139-I148 HydrophobicContact CD2-CG1 3.72Å; V140-I148 HydrophobicContact CG1-CD1 4.1Å; I146-I148 HydrophobicContact CG1-CD1 4.4Å; I146-I148 HydrophobicContact CG1-CG1 4.07Å; I146-I148 WeakPolarHBondContact O-CG1 3.41Å; I146-I148 PolarHBondContact O-N 3.36Å; I148-L175 HydrophobicContact CB-CD2 4.02Å; I148-L175 HydrophobicContact CD1-CD2 4.38Å; I148-L175 HydrophobicContact CG2-CD1 4.28Å |
| 149 | V | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.1 | 171.2 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | A117 I118 I119 Q176 Y178 P191 W194 L195 | A117-V149 PolarHBondContact O-N 2.89Å; I118-V149 CarbonylContact C-O 3.53Å; I118-V149 WeakPolarHBondContact CA-O 2.95Å; I118-V149 HydrophobicContact CG1-CB 4.44Å; I119-V149 PolarHBondContact N-O 3.21Å; V149-Q176 WeakPolarHBondContact CA-O 3.45Å; V149-Q176 HydrophobicContact CG2-CB 4.36Å; V149-Y178 HydrophobicContact CG1-CD2 3.74Å; V149-Y178 HydrophobicContact CG1-CE2 4.22Å; V149-P191 HydrophobicContact CB-CB 4.44Å; V149-P191 HydrophobicContact CG1-CB 4Å; V149-P191 HydrophobicContact CG1-CG 4.42Å; V149-W194 HydrophobicContact CG2-CD2 4.22Å; V149-W194 HydrophobicContact CG2-CE3 3.41Å; V149-W194 VanDerWaalsContact CG2-CE3 3.41Å; V149-W194 HydrophobicContact CG2-CZ3 3.83Å; V149-L195 HydrophobicContact CG2-CD1 4.29Å; V149-L195 HydrophobicContact CG2-CD2 3.84Å; V149-L195 HydrophobicContact CG2-CG 3.75Å |
| 150 | L | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125 | 169 | -178.3 | 65.5 | 0 | 0 | 0 | 109.5 | I119 F121 Y129 V132 I167 H170 Q176 Y177 Y178 | I119-L150 HydrophobicContact CB-CD1 4.11Å; I119-L150 HydrophobicContact CG2-CD1 4.13Å; I119-L150 WeakPolarHBondContact O-CA 3Å; F121-L150 HydrophobicContact CD1-CD1 3.79Å; F121-L150 HydrophobicContact CD1-CG 4.22Å; F121-L150 HydrophobicContact CE1-CD1 4Å; F121-L150 HydrophobicContact CE1-CD2 4.13Å; F121-L150 HydrophobicContact CE1-CG 3.91Å; Y129-L150 HydrophobicContact CE2-CD2 4.35Å; V132-L150 HydrophobicContact CB-CD1 4.47Å; V132-L150 HydrophobicContact CG1-CD1 3.63Å; V132-L150 HydrophobicContact CG1-CD2 4.47Å; V132-L150 HydrophobicContact CG2-CD1 3.93Å; L150-I167 HydrophobicContact CD2-CG2 4.29Å; L150-H170 HydrophobicContact CD2-CB 4.07Å; L150-Q176 PolarHBondContact N-O 3.08Å; L150-Y177 HydrophobicContact CB-CD2 4.12Å; L150-Y177 HydrophobicContact CD2-CD2 3.93Å; L150-Y177 HydrophobicContact CD2-CE2 4.47Å; L150-Y177 HydrophobicContact CG-CD2 3.87Å; L150-Y177 HydrophobicContact CG-CE2 4.34Å; L150-Y177 VanDerWaalsContact O-CA 3.31Å; L150-Y177 WeakPolarHBondContact O-CA 3.49Å; L150-Y177 VanDerWaalsContact O-CD2 3.26Å; L150-Y177 WeakPolarHBondContact O-CD2 3.43Å; L150-Y178 PolarHBondContact O-N 2.87Å |
| 151 | C | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.5 | -179.7 | -69.4 | 0 | 0 | 0 | 0 | 111.3 | I118 I119 M120 F121 Y178 I180 P191 | I118-C151 HydrophobicContact CG2-CB 4.23Å; I119-C151 PolarHBondContact O-N 3.47Å; M120-C151 WeakPolarHBondContact CA-O 3.21Å; M120-C151 HydrophobicContact CG-CB 4.47Å; F121-C151 WeakPolarHBondContact CD1-O 3.07Å; F121-C151 PolarHBondContact N-O 3.08Å; C151-Y178 WeakPolarHBondContact CA-O 3.26Å; C151-I180 HydrophobicContact CB-CD1 3.73Å; C151-I180 HydrophobicContact CB-CG1 4.17Å; C151-P191 VanDerWaalsContact SG-CG 3.52Å |
| 152 | G | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 103.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y178 I180 | G152-Y178 PolarHBondContact N-O 3.46Å; G152-I180 PolarHBondContact O-N 3.18Å |
| 153 | N | 98.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 165.5 | -177.4 | -168.8 | 29.5 | 0 | 0 | 0 | 112.5 | T52 M120 F121 V123 I180 A182 | T52-N153 PolarHBondContact O-ND2 3.22Å; M120-N153 HydrophobicContact CG-CB 4.05Å; M120-N153 HydrophobicContact SD-CB 4.01Å; F121-N153 PolarHBondContact O-N 3.2Å; V123-N153 WeakPolarHBondContact CG2-O 3.37Å; V123-N153 PolarHBondContact N-O 2.84Å; N153-I180 CarbonylContact C-O 3.58Å; N153-I180 WeakPolarHBondContact CA-O 3.36Å; N153-I180 HydrophobicContact CB-CD1 4.18Å; N153-I180 HydrophobicContact CB-CG1 3.94Å; N153-I180 PolarHBondContact OD1-O 3.28Å; N153-A182 PolarHBondContact OD1-N 2.84Å; N153-A182 VanDerWaalsContact OD1-N 3.12Å |
| 154 | K | 96.8 | Very high | 95.8 | Very high | 53 Ų | 53 | 50.1 Ų | 50.1 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | trans | 69.6 | 31.3 | 177 | -45.6 | -169.2 | -165.9 | 165.2 | 0 | 114.9 | G51 D122 D156 I157 I180 | G51-K154 WeakPolarHBondContact O-CE 3.45Å; G51-K154 PolarHBondContact O-NZ 3.33Å; D122-K154 WeakPolarHBondContact OD1-CD 3.47Å; D122-K154 WeakPolarHBondContact OD2-CD 2.87Å; D122-K154 VanDerWaalsContact OD2-CE 3.25Å; D122-K154 WeakPolarHBondContact OD2-CE 3.35Å; D122-K154 IonicContact OD2-NZ 2.68Å; D122-K154 PolarHBondContact OD2-NZ 3.26Å; K154-D156 WeakPolarHBondContact CA-OD1 3.16Å; K154-D156 PolarHBondContact O-N 2.64Å; K154-D156 VanDerWaalsContact O-N 3.12Å; K154-I157 HydrophobicContact CB-CD1 4.02Å; K154-I157 HydrophobicContact CB-CG1 4.44Å; K154-I157 HydrophobicContact CD-CD1 4.19Å; K154-I157 PolarHBondContact O-N 3.37Å; K154-I180 PolarHBondContact N-O 2.79Å | ||
| 155 | V | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -12.8 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | V123 I157 D179 I180 Y186 M220 Y228 | V123-V155 HydrophobicContact CG1-CG1 4Å; V123-V155 HydrophobicContact CG2-CG1 4.1Å; V155-I157 PolarHBondContact O-N 2.79Å; V155-D179 HydrophobicContact CG1-CB 3.82Å; V155-I180 WeakPolarHBondContact CG2-O 3.38Å; V155-I180 PolarHBondContact N-O 3.04Å; V155-Y186 HydrophobicContact CG2-CD1 3.67Å; V155-Y186 HydrophobicContact CG2-CE1 4.15Å; V155-M220 HydrophobicContact CB-CE 4.45Å; V155-M220 HydrophobicContact CG2-CE 3.95Å; V155-M220 HydrophobicContact CG2-SD 4.37Å; V155-Y228 HydrophobicContact CB-CD2 4.24Å; V155-Y228 HydrophobicContact CB-CE2 4.04Å; V155-Y228 WeakPolarHBondContact O-CE2 3.31Å |
| 156 | D | 94.2 | Very high | 95.9 | Very high | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.16 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.7 | 170.2 | 56.8 | -76.3 | 0 | 0 | 0 | 113.8 | K154 S181 I218 M220 | K154-D156 WeakPolarHBondContact CA-OD1 3.16Å; K154-D156 PolarHBondContact O-N 2.64Å; K154-D156 VanDerWaalsContact O-N 3.12Å; D156-S181 VanDerWaalsContact CG-OG 3.26Å; D156-S181 VanDerWaalsContact OD1-CB 3.31Å; D156-S181 WeakPolarHBondContact OD1-CB 3.42Å; D156-S181 PolarHBondContact OD1-OG 3.49Å; D156-I218 HydrophobicContact CB-CD1 3.53Å; D156-I218 HydrophobicContact CB-CG1 4.48Å; D156-I218 VanDerWaalsContact OD2-CD1 3.3Å; D156-I218 WeakPolarHBondContact OD2-CD1 3.25Å; D156-M220 HydrophobicContact CB-SD 4.3Å |
| 157 | I | 93.8 | Very high | 95.8 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 34% | 0.344 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -84.4 | 120.6 | 177.7 | -58.8 | 175.8 | 0 | 0 | 0 | 109.4 | T124 K154 V155 D159 | T124-I157 HydrophobicContact CG2-CB 3.66Å; T124-I157 HydrophobicContact CG2-CD1 3.77Å; T124-I157 HydrophobicContact CG2-CG1 4.26Å; T124-I157 HydrophobicContact CG2-CG2 3.71Å; K154-I157 HydrophobicContact CB-CD1 4.02Å; K154-I157 HydrophobicContact CB-CG1 4.44Å; K154-I157 HydrophobicContact CD-CD1 4.19Å; K154-I157 PolarHBondContact O-N 3.37Å; V155-I157 PolarHBondContact O-N 2.79Å; I157-D159 VanDerWaalsContact C-N 3.29Å; I157-D159 PolarHBondContact O-N 2.91Å |
| 158 | K | 90.9 | Very high | 95.6 | Very high | 174 Ų | 174 | 44.5 Ų | 44.5 | 76% | 0.757 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -60.1 | -35.1 | -178 | -67.1 | -171.8 | 177.5 | -173.4 | 0 | 113.6 | R160 | K158-R160 PolarHBondContact O-N 2.93Š|
| 159 | D | 93.8 | Very high | 95.5 | Very high | 98 Ų | 98 | 45 Ų | 45 | 52% | 0.524 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -80.1 | 58.4 | -179.6 | -169.7 | 24.1 | 0 | 0 | 0 | 112.4 | I157 K161 | I157-D159 VanDerWaalsContact C-N 3.29Å; I157-D159 PolarHBondContact O-N 2.91Å; D159-K161 VanDerWaalsContact CG-CE 3.49Å; D159-K161 PolarHBondContact O-N 3.22Å; D159-K161 WeakPolarHBondContact OD1-CE 3.08Å; D159-K161 IonicContact OD1-NZ 3.43Å; D159-K161 PolarHBondContact OD1-NZ 3.23Å; D159-K161 WeakPolarHBondContact OD2-CE 3.18Å; D159-K161 IonicContact OD2-NZ 3.73Å; D159-K161 PolarHBondContact OD2-NZ 2.73Å |
| 160 | R | 96.1 | Very high | 95.3 | Very high | 19 Ų | 19 | 46.6 Ų | 46.6 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | trans | -67.3 | 118.6 | 178.7 | -179.4 | 174.2 | -177.7 | 161 | 10.6 | 110.7 | V123 K158 V162 D179 Y228 | V123-R160 HydrophobicContact CB-CG 4.08Å; V123-R160 HydrophobicContact CG2-CG 4.06Å; K158-R160 PolarHBondContact O-N 2.93Å; R160-V162 WeakPolarHBondContact CG-O 3.33Å; R160-V162 PolarHBondContact NE-O 3.12Å; R160-D179 IonicContact CZ-OD1 3.04Å; R160-D179 IonicContact CZ-OD2 3.68Å; R160-D179 IonicContact NH1-OD1 3.04Å; R160-D179 IonicContact NH1-OD2 3.79Å; R160-D179 PolarHBondContact NH1-OD2 2.95Å; R160-D179 IonicContact NH2-OD1 3.49Å; R160-D179 PolarHBondContact NH2-OD1 2.98Å; R160-D179 IonicContact NH2-OD2 3.63Å; R160-D179 PolarHBondContact NH2-OD2 3.34Å; R160-Y228 VanDerWaalsContact NH1-CG 3.32Å | ||
| 161 | K | 96.8 | Very high | 95 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -93.8 | -28.1 | -178.8 | -57.7 | -56.3 | -173.5 | -168.1 | 0 | 114 | V123 T124 R126 D159 | V123-K161 WeakPolarHBondContact O-CA 3.13Å; V123-K161 PolarHBondContact O-N 3.25Å; T124-K161 WeakPolarHBondContact O-CG 3.47Å; R126-K161 HydrophobicContact CG-CB 3.94Å; R126-K161 PolarHBondContact NE-O 2.96Å; D159-K161 VanDerWaalsContact CG-CE 3.49Å; D159-K161 PolarHBondContact O-N 3.22Å; D159-K161 WeakPolarHBondContact OD1-CE 3.08Å; D159-K161 IonicContact OD1-NZ 3.43Å; D159-K161 PolarHBondContact OD1-NZ 3.23Å; D159-K161 WeakPolarHBondContact OD2-CE 3.18Å; D159-K161 IonicContact OD2-NZ 3.73Å; D159-K161 PolarHBondContact OD2-NZ 2.73Å |
| 162 | V | 96.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -107.8 | 103.7 | 177.6 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | F121 V123 R126 Y129 R160 I167 | F121-V162 HydrophobicContact CE2-CB 4.19Å; F121-V162 HydrophobicContact CE2-CG1 3.86Å; F121-V162 HydrophobicContact CZ-CG1 4.47Å; V123-V162 PolarHBondContact O-N 2.83Å; R126-V162 HydrophobicContact CB-CG2 4.46Å; R126-V162 HydrophobicContact CG-CG2 4.14Å; Y129-V162 HydrophobicContact CD1-CG1 4.03Å; Y129-V162 HydrophobicContact CD2-CG1 4.35Å; Y129-V162 HydrophobicContact CG-CG1 3.87Å; R160-V162 WeakPolarHBondContact CG-O 3.33Å; R160-V162 PolarHBondContact NE-O 3.12Å; V162-I167 HydrophobicContact CG1-CD1 4.03Å; V162-I167 HydrophobicContact CG1-CG1 3.65Å |
| 163 | K | 94.3 | Very high | 94.5 | Very high | 141 Ų | 141 | 58.9 Ų | 58.9 | 61% | 0.613 | 27% | 0.273 | S | S | * | . | trans | -90.7 | 160.6 | -175.1 | -62.8 | -172.6 | 177.7 | -174.7 | 0 | 111.3 | K165 S166 I167 | K163-K165 PolarHBondContact O-N 2.91Å; K163-K165 VanDerWaalsContact O-N 3.13Å; K163-S166 PolarHBondContact N-OG 2.85Å; K163-S166 VanDerWaalsContact N-OG 3.11Å; K163-S166 PolarHBondContact O-N 2.49Å; K163-S166 PolarHBondContact O-OG 3.03Å; K163-I167 WeakPolarHBondContact O-CG1 3.5Å; K163-I167 PolarHBondContact O-N 2.87Å | ||
| 164 | A | 92.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 65.9 Ų | 65.9 | 5% | 0.05 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -45.5 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | S166 I167 D231 L232 A235 | A164-S166 VanDerWaalsContact C-N 3.25Å; A164-S166 PolarHBondContact O-N 3.45Å; A164-I167 PolarHBondContact O-N 3.47Å; A164-D231 HydrophobicContact CB-CB 3.9Å; A164-L232 HydrophobicContact CB-CD2 3.74Å; A164-L232 HydrophobicContact CB-CG 4.14Å; A164-A235 HydrophobicContact CB-CB 4.16Å |
| 165 | K | 90.9 | Very high | 94.2 | Very high | 168 Ų | 168 | 64.3 Ų | 64.3 | 73% | 0.73 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -58.3 | -30.5 | 178.8 | -62.4 | -172.6 | 179.2 | -173.5 | 0 | 114.7 | K163 | K163-K165 PolarHBondContact O-N 2.91Å; K163-K165 VanDerWaalsContact O-N 3.13Å |
| 166 | S | 92.8 | Very high | 94.3 | Very high | 54 Ų | 54 | 67.2 Ų | 67.2 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -84 | -13.2 | 177.9 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | Y129 K163 A164 V168 | Y129-S166 VanDerWaalsContact CE1-O 3.25Å; Y129-S166 WeakPolarHBondContact CE1-O 3.4Å; Y129-S166 PolarHBondContact OH-O 2.98Å; K163-S166 PolarHBondContact N-OG 2.85Å; K163-S166 VanDerWaalsContact N-OG 3.11Å; K163-S166 PolarHBondContact O-N 2.49Å; K163-S166 PolarHBondContact O-OG 3.03Å; A164-S166 VanDerWaalsContact C-N 3.25Å; A164-S166 PolarHBondContact O-N 3.45Å; S166-V168 VanDerWaalsContact C-N 3.34Å; S166-V168 PolarHBondContact O-N 2.93Å; S166-V168 VanDerWaalsContact O-N 3.08Å |
| 167 | I | 95.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | trans | -90.2 | 72.5 | -173.2 | -59.3 | 158.4 | 0 | 0 | 0 | 109.4 | F121 Y129 L150 V162 K163 A164 H170 Y177 | F121-I167 HydrophobicContact CE2-CD1 4.46Å; F121-I167 HydrophobicContact CZ-CD1 3.91Å; F121-I167 HydrophobicContact CZ-CG1 4.07Å; F121-I167 HydrophobicContact CZ-CG2 4.42Å; Y129-I167 HydrophobicContact CE2-CB 4.4Å; Y129-I167 HydrophobicContact CE2-CG1 4.26Å; Y129-I167 HydrophobicContact CE2-CG2 3.99Å; Y129-I167 VanDerWaalsContact OH-CA 3.3Å; Y129-I167 WeakPolarHBondContact OH-CA 3.26Å; L150-I167 HydrophobicContact CD2-CG2 4.29Å; V162-I167 HydrophobicContact CG1-CD1 4.03Å; V162-I167 HydrophobicContact CG1-CG1 3.65Å; K163-I167 WeakPolarHBondContact O-CG1 3.5Å; K163-I167 PolarHBondContact O-N 2.87Å; A164-I167 PolarHBondContact O-N 3.47Å; I167-H170 PolarHBondContact O-CE1 3.34Å; I167-H170 PolarHBondContact O-ND1 3.12Å; I167-Y177 HydrophobicContact CD1-CE1 4.34Å; I167-Y177 HydrophobicContact CD1-CE2 4.37Å; I167-Y177 WeakPolarHBondContact CD1-OH 3.45Å; I167-Y177 HydrophobicContact CG2-CD2 3.83Å; I167-Y177 HydrophobicContact CG2-CE1 4.44Å; I167-Y177 HydrophobicContact CG2-CE2 3.73Å; I167-Y177 HydrophobicContact CG2-CG 4.21Å | ||
| 168 | V | 95.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 65.1 Ų | 65.1 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | trans | -98.7 | -16.4 | -176.8 | -62.9 | 0 | 0 | 0 | 0 | 114.2 | Y129 S166 H170 R171 K172 L240 | Y129-V168 PolarHBondContact OH-N 2.93Å; S166-V168 VanDerWaalsContact C-N 3.34Å; S166-V168 PolarHBondContact O-N 2.93Å; S166-V168 VanDerWaalsContact O-N 3.08Å; V168-H170 VanDerWaalsContact C-N 3.29Å; V168-H170 PolarHBondContact O-N 2.58Å; V168-R171 WeakPolarHBondContact O-CB 3.42Å; V168-R171 PolarHBondContact O-N 3.15Å; V168-K172 PolarHBondContact O-N 3.2Å; V168-L240 HydrophobicContact CB-CD2 3.89Å; V168-L240 HydrophobicContact CG1-CD2 4.07Å | ||
| 169 | F | 95.9 | Very high | 95 | Very high | 20 Ų | 20 | 57 Ų | 57 | 9% | 0.088 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.9 | -39.4 | -171.4 | -176.7 | -99.1 | 0 | 0 | 0 | 113.1 | Y129 V132 P133 H136 R171 K172 K173 L175 | Y129-F169 HydrophobicContact CE2-CB 4.45Å; Y129-F169 WeakPolarHBondContact OH-CB 3.5Å; Y129-F169 PolarHBondContact OH-N 3.17Å; Y129-F169 VanDerWaalsContact OH-N 3.08Å; V132-F169 HydrophobicContact CG1-CD1 3.49Å; V132-F169 VanDerWaalsContact CG1-CD1 3.49Å; V132-F169 HydrophobicContact CG1-CE1 3.73Å; V132-F169 HydrophobicContact CG1-CG 4.12Å; P133-F169 HydrophobicContact CB-CD2 4.34Å; P133-F169 HydrophobicContact CB-CE2 3.72Å; P133-F169 HydrophobicContact CB-CZ 4.26Å; P133-F169 HydrophobicContact CG-CD2 3.82Å; P133-F169 HydrophobicContact CG-CE2 3.72Å; P133-F169 HydrophobicContact CG-CZ 4.47Å; H136-F169 HydrophobicContact CB-CE1 3.74Å; H136-F169 HydrophobicContact CB-CZ 3.6Å; H136-F169 AromaticContact CD2-CE1 3.93Å; H136-F169 AromaticContact CG-CE1 3.79Å; H136-F169 AromaticContact CG-CZ 3.61Å; H136-F169 AromaticContact ND1-CZ 3.97Å; F169-R171 VanDerWaalsContact C-N 3.27Å; F169-R171 PolarHBondContact O-N 3.47Å; F169-K172 PolarHBondContact O-N 2.94Å; F169-K173 HydrophobicContact CE1-CB 4.43Å; F169-K173 HydrophobicContact CE1-CG 3.96Å; F169-K173 HydrophobicContact CE2-CG 3.92Å; F169-K173 HydrophobicContact CZ-CG 3.61Å; F169-K173 PolarHBondContact O-N 2.94Å; F169-K173 VanDerWaalsContact O-N 3.08Å; F169-L175 HydrophobicContact CD1-CD1 4.26Å; F169-L175 HydrophobicContact CE1-CD1 3.99Å |
| 170 | H | 94.4 | Very high | 95.2 | Very high | 32 Ų | 32 | 52.3 Ų | 52.3 | 15% | 0.148 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -36.3 | 178.5 | 73.3 | -81.1 | 0 | 0 | 0 | 112.2 | L150 I167 V168 K173 N174 L175 | L150-H170 HydrophobicContact CD2-CB 4.07Å; I167-H170 PolarHBondContact O-CE1 3.34Å; I167-H170 PolarHBondContact O-ND1 3.12Å; V168-H170 VanDerWaalsContact C-N 3.29Å; V168-H170 PolarHBondContact O-N 2.58Å; H170-K173 CarbonylContact O-C 3.58Å; H170-K173 PolarHBondContact O-N 2.91Å; H170-N174 CarbonylContact O-C 3.56Å; H170-N174 WeakPolarHBondContact O-CA 3.39Å; H170-N174 PolarHBondContact O-N 3.2Å; H170-L175 HydrophobicContact CB-CB 4.06Å; H170-L175 WeakPolarHBondContact CB-O 3.44Å; H170-L175 PolarHBondContact O-N 3.25Å |
| 171 | R | 92.6 | Very high | 95.2 | Very high | 78 Ų | 78 | 51.4 Ų | 51.4 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71 | -43.2 | 175.8 | -63.9 | 174.3 | 62.4 | -165.7 | 0.5 | 111.4 | V168 F169 K173 N174 A235 T238 L240 | V168-R171 WeakPolarHBondContact O-CB 3.42Å; V168-R171 PolarHBondContact O-N 3.15Å; F169-R171 VanDerWaalsContact C-N 3.27Å; F169-R171 PolarHBondContact O-N 3.47Å; R171-K173 PolarHBondContact O-N 3.1Å; R171-N174 PolarHBondContact O-N 2.9Å; R171-A235 PolarHBondContact NH1-O 2.71Å; R171-T238 PolarHBondContact NH1-O 2.66Å; R171-T238 PolarHBondContact NH2-O 2.68Å; R171-L240 HydrophobicContact CB-CD1 4.1Å; R171-L240 HydrophobicContact CB-CD2 3.9Å; R171-L240 HydrophobicContact CB-CG 4.48Å |
| 172 | K | 92.5 | Very high | 95 | Very high | 67 Ų | 67 | 47.6 Ų | 47.6 | 29% | 0.291 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.4 | -28.5 | 176.6 | -64.5 | -172 | 177.3 | -173.6 | 0 | 112.5 | V168 F169 L240 D246 | V168-K172 PolarHBondContact O-N 3.2Å; F169-K172 PolarHBondContact O-N 2.94Å; K172-L240 HydrophobicContact CG-CD1 4.39Å; K172-D246 IonicContact NZ-OD2 2.66Å; K172-D246 PolarHBondContact NZ-OD2 3.01Å |
| 173 | K | 94.1 | Very high | 94.8 | Very high | 113 Ų | 113 | 50.6 Ų | 50.6 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 8.1 | -177.6 | -62.1 | -57.8 | -179.8 | -167.7 | 0 | 114.9 | F169 H170 R171 L175 | F169-K173 HydrophobicContact CE1-CB 4.43Å; F169-K173 HydrophobicContact CE1-CG 3.96Å; F169-K173 HydrophobicContact CE2-CG 3.92Å; F169-K173 HydrophobicContact CZ-CG 3.61Å; F169-K173 PolarHBondContact O-N 2.94Å; F169-K173 VanDerWaalsContact O-N 3.08Å; H170-K173 CarbonylContact O-C 3.58Å; H170-K173 PolarHBondContact O-N 2.91Å; R171-K173 PolarHBondContact O-N 3.1Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 HydrophobicContact CB-CD1 4.16Å; K173-L175 HydrophobicContact CB-CD2 4.14Å; K173-L175 HydrophobicContact CB-CG 3.82Å; K173-L175 WeakPolarHBondContact O-CD2 3.31Å; K173-L175 PolarHBondContact O-N 2.78Å |
| 174 | N | 93.2 | Very high | 94.6 | Very high | 151 Ų | 151 | 44.4 Ų | 44.4 | 81% | 0.807 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 42.9 | -177.1 | -166 | 32.7 | 0 | 0 | 0 | 114.2 | H170 R171 | H170-N174 CarbonylContact O-C 3.56Å; H170-N174 WeakPolarHBondContact O-CA 3.39Å; H170-N174 PolarHBondContact O-N 3.2Å; R171-N174 PolarHBondContact O-N 2.9Å |
| 175 | L | 96.5 | Very high | 94.5 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | trans | -96.9 | 151.9 | 176.6 | -45 | -176.6 | 0 | 0 | 0 | 110.3 | I148 F169 H170 K173 | I148-L175 HydrophobicContact CB-CD2 4.02Å; I148-L175 HydrophobicContact CD1-CD2 4.38Å; I148-L175 HydrophobicContact CG2-CD1 4.28Å; F169-L175 HydrophobicContact CD1-CD1 4.26Å; F169-L175 HydrophobicContact CE1-CD1 3.99Å; H170-L175 HydrophobicContact CB-CB 4.06Å; H170-L175 WeakPolarHBondContact CB-O 3.44Å; H170-L175 PolarHBondContact O-N 3.25Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 HydrophobicContact CB-CD1 4.16Å; K173-L175 HydrophobicContact CB-CD2 4.14Å; K173-L175 HydrophobicContact CB-CG 3.82Å; K173-L175 WeakPolarHBondContact O-CD2 3.31Å; K173-L175 PolarHBondContact O-N 2.78Å | ||
| 176 | Q | 97.6 | Very high | 94.6 | Very high | 61 Ų | 61 | 39 Ų | 39 | 29% | 0.285 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 140.3 | 167.6 | -177 | 61.3 | 52.7 | 0 | 0 | 110.3 | V149 L150 Y178 W194 | V149-Q176 WeakPolarHBondContact CA-O 3.45Å; V149-Q176 HydrophobicContact CG2-CB 4.36Å; L150-Q176 PolarHBondContact N-O 3.08Å; Q176-Y178 HydrophobicContact CG-CD2 4.02Å; Q176-Y178 HydrophobicContact CG-CE1 4.48Å; Q176-Y178 HydrophobicContact CG-CE2 3.33Å; Q176-W194 HydrophobicContact CB-CD2 3.7Å; Q176-W194 VanDerWaalsContact CB-CE2 3.44Å; Q176-W194 HydrophobicContact CB-CE3 4.1Å; Q176-W194 HydrophobicContact CB-CG 4.15Å; Q176-W194 HydrophobicContact CB-CH2 4.05Å; Q176-W194 HydrophobicContact CB-CZ2 3.64Å; Q176-W194 HydrophobicContact CB-CZ3 4.26Å; Q176-W194 HydrophobicContact CG-CD2 3.96Å; Q176-W194 HydrophobicContact CG-CG 3.84Å; Q176-W194 VanDerWaalsContact OE1-NE1 3.16Å |
| 177 | Y | 98.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 142.5 | 173.4 | 178.3 | -102.5 | 0 | 0 | 0 | 112 | F121 L150 I167 D179 L232 | F121-Y177 AromaticContact CE1-CE2 3.69Å; F121-Y177 HydrophobicContact CE1-CE2 3.69Å; F121-Y177 AromaticContact CZ-CE2 3.78Å; F121-Y177 HydrophobicContact CZ-CE2 3.78Å; L150-Y177 HydrophobicContact CB-CD2 4.12Å; L150-Y177 HydrophobicContact CD2-CD2 3.93Å; L150-Y177 HydrophobicContact CD2-CE2 4.47Å; L150-Y177 HydrophobicContact CG-CD2 3.87Å; L150-Y177 HydrophobicContact CG-CE2 4.34Å; L150-Y177 VanDerWaalsContact O-CA 3.31Å; L150-Y177 WeakPolarHBondContact O-CA 3.49Å; L150-Y177 VanDerWaalsContact O-CD2 3.26Å; L150-Y177 WeakPolarHBondContact O-CD2 3.43Å; I167-Y177 HydrophobicContact CD1-CE1 4.34Å; I167-Y177 HydrophobicContact CD1-CE2 4.37Å; I167-Y177 WeakPolarHBondContact CD1-OH 3.45Å; I167-Y177 HydrophobicContact CG2-CD2 3.83Å; I167-Y177 HydrophobicContact CG2-CE1 4.44Å; I167-Y177 HydrophobicContact CG2-CE2 3.73Å; I167-Y177 HydrophobicContact CG2-CG 4.21Å; Y177-D179 WeakPolarHBondContact CE1-OD1 3.31Å; Y177-D179 VanDerWaalsContact CZ-OD1 3.31Å; Y177-D179 PolarHBondContact OH-OD1 3.34Å; Y177-L232 HydrophobicContact CD1-CD1 4.28Å; Y177-L232 HydrophobicContact CD1-CD2 3.72Å; Y177-L232 HydrophobicContact CE1-CD1 3.93Å; Y177-L232 HydrophobicContact CE1-CD2 3.46Å; Y177-L232 VanDerWaalsContact CE1-CD2 3.46Å; Y177-L232 HydrophobicContact CE1-CG 4.36Å |
| 178 | Y | 98.4 | Very high | 94.4 | Very high | 42 Ų | 42 | 37.2 Ų | 37.2 | 17% | 0.165 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.2 | 165.9 | -65.2 | -67.8 | 0 | 0 | 0 | 112.1 | V149 L150 C151 G152 Q176 K190 P191 W194 | V149-Y178 HydrophobicContact CG1-CD2 3.74Å; V149-Y178 HydrophobicContact CG1-CE2 4.22Å; L150-Y178 PolarHBondContact O-N 2.87Å; C151-Y178 WeakPolarHBondContact CA-O 3.26Å; G152-Y178 PolarHBondContact N-O 3.46Å; Q176-Y178 HydrophobicContact CG-CD2 4.02Å; Q176-Y178 HydrophobicContact CG-CE1 4.48Å; Q176-Y178 HydrophobicContact CG-CE2 3.33Å; Y178-K190 HydrophobicContact CD1-CB 3.92Å; Y178-K190 HydrophobicContact CD1-CD 3.82Å; Y178-K190 HydrophobicContact CD2-CB 4.09Å; Y178-K190 HydrophobicContact CE1-CB 3.87Å; Y178-K190 HydrophobicContact CE1-CD 3.8Å; Y178-K190 HydrophobicContact CE1-CG 4.39Å; Y178-K190 HydrophobicContact CE2-CB 4.02Å; Y178-K190 HydrophobicContact CG-CB 4.04Å; Y178-P191 HydrophobicContact CD2-CG 4.14Å; Y178-W194 HydrophobicContact CE2-CB 4.09Å |
| 179 | D | 98.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 126.5 | 157.4 | -89.8 | -5.7 | 0 | 0 | 0 | 108.3 | V155 R160 Y177 Y186 N187 L232 | V155-D179 HydrophobicContact CG1-CB 3.82Å; R160-D179 IonicContact CZ-OD1 3.04Å; R160-D179 IonicContact CZ-OD2 3.68Å; R160-D179 IonicContact NH1-OD1 3.04Å; R160-D179 IonicContact NH1-OD2 3.79Å; R160-D179 PolarHBondContact NH1-OD2 2.95Å; R160-D179 IonicContact NH2-OD1 3.49Å; R160-D179 PolarHBondContact NH2-OD1 2.98Å; R160-D179 IonicContact NH2-OD2 3.63Å; R160-D179 PolarHBondContact NH2-OD2 3.34Å; Y177-D179 WeakPolarHBondContact CE1-OD1 3.31Å; Y177-D179 VanDerWaalsContact CZ-OD1 3.31Å; Y177-D179 PolarHBondContact OH-OD1 3.34Å; D179-Y186 HydrophobicContact CB-CE1 4.26Å; D179-N187 WeakPolarHBondContact O-CB 3.25Å; D179-N187 PolarHBondContact O-ND2 2.68Å; D179-L232 HydrophobicContact CB-CD1 4.22Å |
| 180 | I | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -132.8 | 157.9 | 179.1 | 67.5 | 168.4 | 0 | 0 | 0 | 111.5 | F57 M120 C151 G152 N153 K154 V155 Y186 N187 P191 | F57-I180 HydrophobicContact CD2-CD1 3.7Å; F57-I180 HydrophobicContact CE2-CD1 3.69Å; M120-I180 HydrophobicContact CE-CD1 3.98Å; C151-I180 HydrophobicContact CB-CD1 3.73Å; C151-I180 HydrophobicContact CB-CG1 4.17Å; G152-I180 PolarHBondContact O-N 3.18Å; N153-I180 CarbonylContact C-O 3.58Å; N153-I180 WeakPolarHBondContact CA-O 3.36Å; N153-I180 HydrophobicContact CB-CD1 4.18Å; N153-I180 HydrophobicContact CB-CG1 3.94Å; N153-I180 PolarHBondContact OD1-O 3.28Å; K154-I180 PolarHBondContact N-O 2.79Å; V155-I180 WeakPolarHBondContact CG2-O 3.38Å; V155-I180 PolarHBondContact N-O 3.04Å; I180-Y186 WeakPolarHBondContact CA-O 3.36Å; I180-N187 HydrophobicContact CG2-CB 4.12Å; I180-P191 HydrophobicContact CG2-CG 4.3Å | ||
| 181 | S | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -137.4 | 110 | 165.3 | 167.6 | 0 | 0 | 0 | 0 | 110.2 | D156 K183 S184 N185 Y186 | D156-S181 VanDerWaalsContact CG-OG 3.26Å; D156-S181 VanDerWaalsContact OD1-CB 3.31Å; D156-S181 WeakPolarHBondContact OD1-CB 3.42Å; D156-S181 PolarHBondContact OD1-OG 3.49Å; S181-K183 PolarHBondContact O-N 3.43Å; S181-K183 VanDerWaalsContact O-N 3.15Å; S181-K183 PolarHBondContact OG-N 3.29Å; S181-S184 WeakPolarHBondContact CB-OG 3.46Å; S181-S184 PolarHBondContact O-N 3.07Å; S181-S184 PolarHBondContact OG-N 3.33Å; S181-S184 VanDerWaalsContact OG-N 3.17Å; S181-S184 PolarHBondContact OG-OG 2.61Å; S181-N185 WeakPolarHBondContact O-CA 3.34Å; S181-N185 PolarHBondContact O-N 3.03Å; S181-Y186 PolarHBondContact N-O 3.13Å; S181-Y186 PolarHBondContact O-N 2.87Å |
| 182 | A | 92.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T56 F57 R60 F66 N153 F188 | T56-A182 HydrophobicContact CG2-CB 4.23Å; F57-A182 HydrophobicContact CB-CB 4.32Å; R60-A182 WeakPolarHBondContact CD-O 3.45Å; R60-A182 PolarHBondContact NE-O 2.9Å; R60-A182 PolarHBondContact NH1-O 3.34Å; F66-A182 WeakPolarHBondContact CD2-O 3.43Å; N153-A182 PolarHBondContact OD1-N 2.84Å; N153-A182 VanDerWaalsContact OD1-N 3.12Å; A182-F188 HydrophobicContact CB-CE2 4.07Å |
| 183 | K | 90.9 | Very high | 94.9 | Very high | 66 Ų | 66 | 34 Ų | 34 | 29% | 0.287 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -33 | 178.7 | -162.5 | 174.4 | 172.3 | -171.7 | 0 | 113 | R60 F66 S181 E217 I218 | R60-K183 VanDerWaalsContact NH1-C 3.33Å; R60-K183 PolarHBondContact NH1-O 3.28Å; F66-K183 HydrophobicContact CD2-CB 4.41Å; F66-K183 HydrophobicContact CD2-CG 4.33Å; F66-K183 HydrophobicContact CE1-CD 4.37Å; F66-K183 HydrophobicContact CE1-CG 4.17Å; F66-K183 HydrophobicContact CE2-CB 3.72Å; F66-K183 HydrophobicContact CE2-CG 3.78Å; F66-K183 HydrophobicContact CZ-CB 4Å; F66-K183 HydrophobicContact CZ-CD 3.98Å; F66-K183 HydrophobicContact CZ-CG 3.69Å; S181-K183 PolarHBondContact O-N 3.43Å; S181-K183 VanDerWaalsContact O-N 3.15Å; S181-K183 PolarHBondContact OG-N 3.29Å; K183-E217 HydrophobicContact CG-CB 4.17Å; K183-E217 PolarHBondContact O-N 2.84Å; K183-I218 HydrophobicContact CB-CD1 4.23Å; K183-I218 HydrophobicContact CB-CG1 4.37Å; K183-I218 HydrophobicContact CD-CD1 3.59Å; K183-I218 HydrophobicContact CD-CG1 4.13Å; K183-I218 HydrophobicContact CG-CD1 3.89Å; K183-I218 HydrophobicContact CG-CG1 3.93Å |
| 184 | S | 90.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 8% | 0.084 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 0.1 | -176.7 | 62.9 | 0 | 0 | 0 | 0 | 114.8 | S181 Y186 I218 | S181-S184 WeakPolarHBondContact CB-OG 3.46Å; S181-S184 PolarHBondContact O-N 3.07Å; S181-S184 PolarHBondContact OG-N 3.33Å; S181-S184 VanDerWaalsContact OG-N 3.17Å; S181-S184 PolarHBondContact OG-OG 2.61Å; S184-Y186 PolarHBondContact O-N 3Å; S184-Y186 WeakPolarHBondContact OG-CB 3.1Å; S184-Y186 PolarHBondContact OG-N 3.46Å; S184-I218 VanDerWaalsContact CA-O 3.25Å; S184-I218 WeakPolarHBondContact CA-O 3.45Å; S184-I218 WeakPolarHBondContact CB-O 3.37Å |
| 185 | N | 90.4 | Very high | 95.3 | Very high | 30 Ų | 30 | 23.4 Ų | 23.4 | 16% | 0.16 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 16.9 | -169.6 | -60.2 | -32.1 | 0 | 0 | 0 | 114 | R60 S181 N187 F188 A214 | R60-N185 WeakPolarHBondContact CD-OD1 3.4Å; R60-N185 PolarHBondContact NE-OD1 3.49Å; S181-N185 WeakPolarHBondContact O-CA 3.34Å; S181-N185 PolarHBondContact O-N 3.03Å; N185-N187 PolarHBondContact O-N 3.2Å; N185-F188 HydrophobicContact CB-CB 4.42Å; N185-F188 WeakPolarHBondContact O-CB 3.47Å; N185-F188 PolarHBondContact O-N 2.85Å; N185-A214 PolarHBondContact ND2-O 3.04Å |
| 186 | Y | 93.3 | Very high | 95.4 | Very high | 29 Ų | 29 | 22.5 Ų | 22.5 | 11% | 0.114 | 10% | 0.102 | C | C | . | . | B | Isolated β-bridge | trans | -65.8 | 124.4 | 178.9 | -177.7 | -109.9 | 0 | 0 | 0 | 111 | V155 D179 I180 S181 S184 F188 M220 A225 E229 | V155-Y186 HydrophobicContact CG2-CD1 3.67Å; V155-Y186 HydrophobicContact CG2-CE1 4.15Å; D179-Y186 HydrophobicContact CB-CE1 4.26Å; I180-Y186 WeakPolarHBondContact CA-O 3.36Å; S181-Y186 PolarHBondContact N-O 3.13Å; S181-Y186 PolarHBondContact O-N 2.87Å; S184-Y186 PolarHBondContact O-N 3Å; S184-Y186 WeakPolarHBondContact OG-CB 3.1Å; S184-Y186 PolarHBondContact OG-N 3.46Å; Y186-F188 PolarHBondContact O-N 2.91Å; Y186-M220 HydrophobicContact CD2-CB 4.46Å; Y186-M220 HydrophobicContact CD2-CG 4.08Å; Y186-M220 HydrophobicContact CG-CG 4.17Å; Y186-A225 HydrophobicContact CD2-CB 4.45Å; Y186-A225 HydrophobicContact CE2-CB 3.7Å; Y186-E229 WeakPolarHBondContact OH-CG 3.14Å; Y186-E229 PolarHBondContact OH-OE1 3.25Å |
| 187 | N | 93.7 | Very high | 95.4 | Very high | 21 Ų | 21 | 23.3 Ų | 23.3 | 11% | 0.112 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 27.8 | -179.3 | -69.3 | -23.2 | 0 | 0 | 0 | 114.7 | D179 I180 N185 E189 K190 P191 | D179-N187 WeakPolarHBondContact O-CB 3.25Å; D179-N187 PolarHBondContact O-ND2 2.68Å; I180-N187 HydrophobicContact CG2-CB 4.12Å; N185-N187 PolarHBondContact O-N 3.2Å; N187-E189 PolarHBondContact O-N 3.08Å; N187-K190 HydrophobicContact CB-CB 4.47Å; N187-K190 HydrophobicContact CB-CD 3.86Å; N187-K190 HydrophobicContact CB-CG 4.18Å; N187-K190 PolarHBondContact O-N 3.12Å; N187-K190 WeakPolarHBondContact OD1-CD 3.27Å; N187-K190 WeakPolarHBondContact OD1-CE 2.81Å; N187-K190 PolarHBondContact OD1-NZ 2.86Å; N187-P191 WeakPolarHBondContact O-CD 3.11Å |
| 188 | F | 89.1 | Confident | 95.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -64.9 | -40.5 | -167.6 | -155.9 | -125.7 | 0 | 0 | 0 | 113 | F57 R60 H61 A182 N185 Y186 L213 | F57-F188 HydrophobicContact CB-CE2 4.43Å; F57-F188 AromaticContact CD2-CD2 3.67Å; F57-F188 HydrophobicContact CD2-CD2 3.67Å; F57-F188 AromaticContact CD2-CE2 3.24Å; F57-F188 HydrophobicContact CD2-CE2 3.24Å; F57-F188 HydrophobicContact CD2-CZ 4.1Å; F57-F188 AromaticContact CE2-CD2 3.62Å; F57-F188 HydrophobicContact CE2-CD2 3.62Å; F57-F188 AromaticContact CE2-CE2 3.64Å; F57-F188 HydrophobicContact CE2-CE2 3.64Å; F57-F188 HydrophobicContact CE2-CG 4.41Å; F57-F188 HydrophobicContact CE2-CZ 4.46Å; F57-F188 HydrophobicContact CG-CE2 4.03Å; F57-F188 WeakPolarHBondContact O-CZ 3.35Å; R60-F188 HydrophobicContact CB-CE1 4.15Å; R60-F188 HydrophobicContact CB-CZ 3.63Å; R60-F188 HydrophobicContact CG-CE1 3.88Å; R60-F188 HydrophobicContact CG-CZ 3.7Å; H61-F188 HydrophobicContact CB-CE1 4.31Å; H61-F188 AromaticContact CD2-CD1 3.83Å; H61-F188 AromaticContact CD2-CE1 3.68Å; H61-F188 AromaticContact CE1-CD1 3.07Å; H61-F188 WeakPolarHBondContact CE1-CD1 3.33Å; H61-F188 AromaticContact CE1-CD2 3.76Å; H61-F188 AromaticContact CE1-CE1 2.95Å; H61-F188 WeakPolarHBondContact CE1-CE1 3.26Å; H61-F188 AromaticContact CE1-CE2 3.64Å; H61-F188 AromaticContact CE1-CG 3.47Å; H61-F188 VanDerWaalsContact CE1-CG 3.47Å; H61-F188 WeakPolarHBondContact CE1-CG 3.31Å; H61-F188 AromaticContact CE1-CZ 3.21Å; H61-F188 WeakPolarHBondContact CE1-CZ 3.19Å; H61-F188 PolarHBondContact CE1-O 3.08Å; H61-F188 AromaticContact CG-CE1 3.44Å; H61-F188 VanDerWaalsContact CG-CE1 3.44Å; H61-F188 AromaticContact CG-CZ 3.94Å; H61-F188 AromaticContact ND1-CD1 3.66Å; H61-F188 AromaticContact ND1-CE1 3Å; H61-F188 WeakPolarHBondContact ND1-CE1 3.49Å; H61-F188 AromaticContact ND1-CE2 3.88Å; H61-F188 AromaticContact ND1-CZ 3.09Å; H61-F188 WeakPolarHBondContact ND1-CZ 3.36Å; H61-F188 AromaticContact NE2-CD1 3.21Å; H61-F188 WeakPolarHBondContact NE2-CD1 3.49Å; H61-F188 AromaticContact NE2-CE1 3.41Å; H61-F188 WeakPolarHBondContact NE2-CE1 3.43Å; H61-F188 AromaticContact NE2-CG 3.81Å; H61-F188 PolarHBondContact NE2-O 3.23Å; A182-F188 HydrophobicContact CB-CE2 4.07Å; N185-F188 HydrophobicContact CB-CB 4.42Å; N185-F188 WeakPolarHBondContact O-CB 3.47Å; N185-F188 PolarHBondContact O-N 2.85Å; Y186-F188 PolarHBondContact O-N 2.91Å; F188-L213 HydrophobicContact CD1-CD1 3.78Å; F188-L213 HydrophobicContact CD1-CD2 3.9Å; F188-L213 HydrophobicContact CE1-CD1 4.39Å; F188-L213 HydrophobicContact CE1-CD2 3.69Å | ||
| 189 | E | 91.9 | Very high | 95.4 | Very high | 55 Ų | 55 | 28.9 Ų | 28.9 | 26% | 0.257 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -80.9 | -17.9 | 178.2 | 66.9 | -89 | -172.9 | 0 | 0 | 114.9 | N187 F192 L193 F207 | N187-E189 PolarHBondContact O-N 3.08Å; E189-F192 PolarHBondContact O-N 3.02Å; E189-L193 PolarHBondContact O-N 2.78Å; E189-F207 HydrophobicContact CB-CD2 3.99Å; E189-F207 HydrophobicContact CB-CE2 3.94Å; E189-F207 HydrophobicContact CG-CD2 4.4Å |
| 190 | K | 96.1 | Very high | 95.4 | Very high | 65 Ų | 65 | 32 Ų | 32 | 28% | 0.283 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.5 | -42.4 | -171.1 | -69.3 | -168.6 | 177.7 | 166.6 | 0 | 113.8 | Y178 N187 L193 W194 E229 | Y178-K190 HydrophobicContact CD1-CB 3.92Å; Y178-K190 HydrophobicContact CD1-CD 3.82Å; Y178-K190 HydrophobicContact CD2-CB 4.09Å; Y178-K190 HydrophobicContact CE1-CB 3.87Å; Y178-K190 HydrophobicContact CE1-CD 3.8Å; Y178-K190 HydrophobicContact CE1-CG 4.39Å; Y178-K190 HydrophobicContact CE2-CB 4.02Å; Y178-K190 HydrophobicContact CG-CB 4.04Å; N187-K190 HydrophobicContact CB-CB 4.47Å; N187-K190 HydrophobicContact CB-CD 3.86Å; N187-K190 HydrophobicContact CB-CG 4.18Å; N187-K190 PolarHBondContact O-N 3.12Å; N187-K190 WeakPolarHBondContact OD1-CD 3.27Å; N187-K190 WeakPolarHBondContact OD1-CE 2.81Å; N187-K190 PolarHBondContact OD1-NZ 2.86Å; K190-L193 PolarHBondContact O-N 3.32Å; K190-W194 PolarHBondContact O-N 3.44Å; K190-E229 IonicContact NZ-OE1 2.79Å |
| 191 | P | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 175.8 | -26 | 36.2 | 0 | 0 | 0 | 112.6 | F57 I118 V149 C151 Y178 I180 N187 W194 L195 | F57-P191 HydrophobicContact CZ-CG 4.36Å; I118-P191 HydrophobicContact CD1-CB 3.85Å; I118-P191 HydrophobicContact CG1-CB 4.47Å; V149-P191 HydrophobicContact CB-CB 4.44Å; V149-P191 HydrophobicContact CG1-CB 4Å; V149-P191 HydrophobicContact CG1-CG 4.42Å; C151-P191 VanDerWaalsContact SG-CG 3.52Å; Y178-P191 HydrophobicContact CD2-CG 4.14Å; I180-P191 HydrophobicContact CG2-CG 4.3Å; N187-P191 WeakPolarHBondContact O-CD 3.11Å; P191-W194 PolarHBondContact O-N 3.27Å; P191-L195 WeakPolarHBondContact O-CB 3.36Å; P191-L195 VanDerWaalsContact O-CG 3.29Å; P191-L195 WeakPolarHBondContact O-CG 3.4Å; P191-L195 PolarHBondContact O-N 2.97Å |
| 192 | F | 97.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | -179.6 | -65.6 | -79.8 | 0 | 0 | 0 | 111.9 | L44 F57 H61 L81 F83 Y92 V94 I118 E189 W194 L195 A196 F207 | L44-F192 HydrophobicContact CD1-CD1 4.12Å; L44-F192 HydrophobicContact CD1-CE1 3.85Å; F57-F192 AromaticContact CE1-CE2 3.42Å; F57-F192 HydrophobicContact CE1-CE2 3.42Å; F57-F192 VanDerWaalsContact CE1-CE2 3.42Å; F57-F192 AromaticContact CE1-CZ 3.65Å; F57-F192 HydrophobicContact CE1-CZ 3.65Å; F57-F192 HydrophobicContact CZ-CD2 4.23Å; F57-F192 AromaticContact CZ-CE2 3.43Å; F57-F192 HydrophobicContact CZ-CE2 3.43Å; F57-F192 VanDerWaalsContact CZ-CE2 3.43Å; F57-F192 HydrophobicContact CZ-CZ 4.15Å; H61-F192 AromaticContact CD2-CE2 3.96Å; H61-F192 AromaticContact CE1-CD2 4Å; H61-F192 AromaticContact CE1-CE2 3.35Å; H61-F192 WeakPolarHBondContact CE1-CE2 3.22Å; H61-F192 AromaticContact ND1-CE2 3.77Å; H61-F192 AromaticContact NE2-CD2 3.68Å; H61-F192 AromaticContact NE2-CE2 3.45Å; H61-F192 WeakPolarHBondContact NE2-CE2 3.46Å; L81-F192 HydrophobicContact CD1-CE1 4.03Å; L81-F192 HydrophobicContact CD1-CZ 3.76Å; F83-F192 HydrophobicContact CE1-CB 4.07Å; F83-F192 HydrophobicContact CE1-CD2 4.19Å; F83-F192 HydrophobicContact CE1-CG 4.1Å; F83-F192 HydrophobicContact CE2-CB 4.11Å; F83-F192 AromaticContact CE2-CD1 3.6Å; F83-F192 HydrophobicContact CE2-CD1 3.6Å; F83-F192 HydrophobicContact CE2-CD2 4.33Å; F83-F192 HydrophobicContact CE2-CE1 4.02Å; F83-F192 AromaticContact CE2-CG 3.76Å; F83-F192 HydrophobicContact CE2-CG 3.76Å; F83-F192 HydrophobicContact CZ-CB 3.81Å; F83-F192 AromaticContact CZ-CD1 3.71Å; F83-F192 HydrophobicContact CZ-CD1 3.71Å; F83-F192 AromaticContact CZ-CD2 3.58Å; F83-F192 HydrophobicContact CZ-CD2 3.58Å; F83-F192 HydrophobicContact CZ-CE1 4.12Å; F83-F192 HydrophobicContact CZ-CE2 4.01Å; F83-F192 AromaticContact CZ-CG 3.41Å; F83-F192 HydrophobicContact CZ-CG 3.41Å; F83-F192 VanDerWaalsContact CZ-CG 3.41Å; F83-F192 HydrophobicContact CZ-CZ 4.25Å; Y92-F192 AromaticContact CD2-CD1 3.68Å; Y92-F192 HydrophobicContact CD2-CD1 3.68Å; Y92-F192 HydrophobicContact CD2-CE1 4.32Å; Y92-F192 HydrophobicContact CE2-CB 4.29Å; Y92-F192 AromaticContact CE2-CD1 3.96Å; Y92-F192 HydrophobicContact CE2-CD1 3.96Å; Y92-F192 HydrophobicContact CG-CD1 4.14Å; Y92-F192 HydrophobicContact CG-CE1 4.44Å; Y92-F192 PolarHBondContact OH-O 2.97Å; V94-F192 HydrophobicContact CG2-CE1 4.2Å; I118-F192 HydrophobicContact CD1-CZ 4.39Å; E189-F192 PolarHBondContact O-N 3.02Å; F192-W194 PolarHBondContact O-N 2.92Å; F192-L195 PolarHBondContact O-N 3.22Å; F192-A196 WeakPolarHBondContact O-CB 3.42Å; F192-A196 PolarHBondContact O-N 3.29Å; F192-F207 HydrophobicContact CB-CE2 4.2Å; F192-F207 HydrophobicContact CB-CZ 3.97Å |
| 193 | L | 97.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 16% | 0.162 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 178.9 | -178.2 | 60.5 | 0 | 0 | 0 | 111.7 | E189 K190 A196 R197 L205 F207 | E189-L193 PolarHBondContact O-N 2.78Å; K190-L193 PolarHBondContact O-N 3.32Å; L193-A196 PolarHBondContact O-N 3.26Å; L193-R197 WeakPolarHBondContact O-CG 3.36Å; L193-R197 PolarHBondContact O-N 3.38Å; L193-L205 HydrophobicContact CD1-CD2 3.7Å; L193-F207 HydrophobicContact CB-CD2 4.37Å; L193-F207 HydrophobicContact CB-CE1 4.48Å; L193-F207 HydrophobicContact CB-CE2 3.84Å; L193-F207 HydrophobicContact CB-CZ 3.93Å; L193-F207 HydrophobicContact CD1-CD1 3.87Å; L193-F207 HydrophobicContact CD1-CD2 4.43Å; L193-F207 HydrophobicContact CD1-CE1 3.88Å; L193-F207 HydrophobicContact CD1-CE2 4.43Å; L193-F207 HydrophobicContact CD1-CG 4.17Å; L193-F207 HydrophobicContact CD1-CZ 4.18Å |
| 194 | W | 98.5 | Very high | 95.8 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 16% | 0.163 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 177.2 | -175 | 96 | 0 | 0 | 0 | 111.8 | P147 V149 Q176 Y178 K190 P191 F192 A196 R197 K198 | P147-W194 HydrophobicContact CB-CH2 4.31Å; P147-W194 HydrophobicContact CB-CZ3 3.86Å; V149-W194 HydrophobicContact CG2-CD2 4.22Å; V149-W194 HydrophobicContact CG2-CE3 3.41Å; V149-W194 VanDerWaalsContact CG2-CE3 3.41Å; V149-W194 HydrophobicContact CG2-CZ3 3.83Å; Q176-W194 HydrophobicContact CB-CD2 3.7Å; Q176-W194 VanDerWaalsContact CB-CE2 3.44Å; Q176-W194 HydrophobicContact CB-CE3 4.1Å; Q176-W194 HydrophobicContact CB-CG 4.15Å; Q176-W194 HydrophobicContact CB-CH2 4.05Å; Q176-W194 HydrophobicContact CB-CZ2 3.64Å; Q176-W194 HydrophobicContact CB-CZ3 4.26Å; Q176-W194 HydrophobicContact CG-CD2 3.96Å; Q176-W194 HydrophobicContact CG-CG 3.84Å; Q176-W194 VanDerWaalsContact OE1-NE1 3.16Å; Y178-W194 HydrophobicContact CE2-CB 4.09Å; K190-W194 PolarHBondContact O-N 3.44Å; P191-W194 PolarHBondContact O-N 3.27Å; F192-W194 PolarHBondContact O-N 2.92Å; W194-A196 VanDerWaalsContact C-N 3.33Å; W194-A196 PolarHBondContact O-N 3.41Å; W194-R197 PolarHBondContact O-N 3.11Å; W194-K198 HydrophobicContact CD2-CG 4Å; W194-K198 HydrophobicContact CE3-CG 3.97Å; W194-K198 HydrophobicContact CH2-CD 4.43Å; W194-K198 HydrophobicContact CH2-CG 3.78Å; W194-K198 HydrophobicContact CZ2-CD 4.17Å; W194-K198 HydrophobicContact CZ2-CG 3.77Å; W194-K198 HydrophobicContact CZ3-CG 3.88Å; W194-K198 WeakPolarHBondContact O-CG 3.21Å; W194-K198 PolarHBondContact O-N 3.05Å |
| 195 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 174.9 | -72.8 | 175.5 | 0 | 0 | 0 | 111.3 | L44 Y92 C116 I118 P147 V149 P191 F192 R197 K198 L199 | L44-L195 HydrophobicContact CD1-CD1 3.58Å; L44-L195 HydrophobicContact CG-CD1 4.47Å; Y92-L195 HydrophobicContact CE1-CB 4.46Å; C116-L195 HydrophobicContact CB-CD1 4.19Å; C116-L195 HydrophobicContact CB-CD2 3.75Å; C116-L195 HydrophobicContact CB-CG 4.44Å; I118-L195 HydrophobicContact CD1-CD1 4.33Å; I118-L195 HydrophobicContact CG1-CD1 3.98Å; P147-L195 HydrophobicContact CB-CD2 3.87Å; P147-L195 HydrophobicContact CG-CD2 4.23Å; P147-L195 WeakPolarHBondContact O-CD2 3.45Å; V149-L195 HydrophobicContact CG2-CD1 4.29Å; V149-L195 HydrophobicContact CG2-CD2 3.84Å; V149-L195 HydrophobicContact CG2-CG 3.75Å; P191-L195 WeakPolarHBondContact O-CB 3.36Å; P191-L195 VanDerWaalsContact O-CG 3.29Å; P191-L195 WeakPolarHBondContact O-CG 3.4Å; P191-L195 PolarHBondContact O-N 2.97Å; F192-L195 PolarHBondContact O-N 3.22Å; L195-R197 PolarHBondContact O-N 3.31Å; L195-K198 PolarHBondContact O-N 2.82Å; L195-L199 HydrophobicContact CB-CD1 4.38Å; L195-L199 WeakPolarHBondContact O-CB 3.39Å; L195-L199 WeakPolarHBondContact O-CD1 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.33Å; L195-L199 PolarHBondContact O-N 3.02Å |
| 196 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | I90 Y92 F192 L193 W194 K198 L199 I200 L205 F207 | I90-A196 HydrophobicContact CD1-CB 3.98Å; Y92-A196 WeakPolarHBondContact OH-CA 3.44Å; Y92-A196 WeakPolarHBondContact OH-CB 3.37Å; Y92-A196 PolarHBondContact OH-N 2.9Å; F192-A196 WeakPolarHBondContact O-CB 3.42Å; F192-A196 PolarHBondContact O-N 3.29Å; L193-A196 PolarHBondContact O-N 3.26Å; W194-A196 VanDerWaalsContact C-N 3.33Å; W194-A196 PolarHBondContact O-N 3.41Å; A196-K198 VanDerWaalsContact C-N 3.3Å; A196-K198 PolarHBondContact O-N 2.84Å; A196-L199 PolarHBondContact O-N 3.33Å; A196-I200 VanDerWaalsContact O-CB 3.27Å; A196-I200 WeakPolarHBondContact O-CB 3.36Å; A196-I200 WeakPolarHBondContact O-CG1 3.45Å; A196-I200 PolarHBondContact O-N 3.35Å; A196-L205 HydrophobicContact CB-CD1 4.23Å; A196-L205 HydrophobicContact CB-CD2 3.77Å; A196-F207 HydrophobicContact CB-CE1 4.49Å |
| 197 | R | 98.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.4 | -42.6 | 175.9 | -71.2 | 170.6 | 174.3 | 177.4 | -5.5 | 112.2 | L193 W194 L195 G201 D202 P203 L205 | L193-R197 WeakPolarHBondContact O-CG 3.36Å; L193-R197 PolarHBondContact O-N 3.38Å; W194-R197 PolarHBondContact O-N 3.11Å; L195-R197 PolarHBondContact O-N 3.31Å; R197-G201 WeakPolarHBondContact O-CA 3.46Å; R197-G201 PolarHBondContact O-N 3.08Å; R197-D202 WeakPolarHBondContact CA-O 3.3Å; R197-D202 WeakPolarHBondContact CB-O 3.35Å; R197-D202 WeakPolarHBondContact CG-O 3.43Å; R197-D202 PolarHBondContact O-N 2.8Å; R197-P203 PolarHBondContact NE-O 3.04Å; R197-L205 HydrophobicContact CG-CB 3.96Å; R197-L205 PolarHBondContact NE-O 3.25Å; R197-L205 PolarHBondContact NH2-O 3.5Å |
| 198 | K | 98.2 | Very high | 96.3 | Very high | 128 Ų | 128 | 50.2 Ų | 50.2 | 56% | 0.557 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -70.8 | -42.2 | 179.1 | -72.3 | -62.9 | -172.1 | 179.9 | 0 | 113.3 | P147 W194 L195 A196 | P147-K198 HydrophobicContact CB-CB 3.96Å; P147-K198 HydrophobicContact CB-CG 4.47Å; P147-K198 HydrophobicContact CG-CB 4.38Å; W194-K198 HydrophobicContact CD2-CG 4Å; W194-K198 HydrophobicContact CE3-CG 3.97Å; W194-K198 HydrophobicContact CH2-CD 4.43Å; W194-K198 HydrophobicContact CH2-CG 3.78Å; W194-K198 HydrophobicContact CZ2-CD 4.17Å; W194-K198 HydrophobicContact CZ2-CG 3.77Å; W194-K198 HydrophobicContact CZ3-CG 3.88Å; W194-K198 WeakPolarHBondContact O-CG 3.21Å; W194-K198 PolarHBondContact O-N 3.05Å; L195-K198 PolarHBondContact O-N 2.82Å; A196-K198 VanDerWaalsContact C-N 3.3Å; A196-K198 PolarHBondContact O-N 2.84Å |
| 199 | L | 97.8 | Very high | 95.9 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 23% | 0.225 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.7 | -37.5 | -177.8 | -70.5 | 164.5 | 0 | 0 | 0 | 112.5 | F42 Y92 Q115 C116 P147 L195 A196 | F42-L199 HydrophobicContact CB-CD1 4.16Å; F42-L199 HydrophobicContact CD1-CB 4.37Å; F42-L199 HydrophobicContact CD1-CD1 3.96Å; F42-L199 HydrophobicContact CD1-CD2 4.08Å; F42-L199 HydrophobicContact CD1-CG 4.37Å; F42-L199 HydrophobicContact CD2-CD1 3.83Å; F42-L199 HydrophobicContact CE1-CB 3.9Å; F42-L199 HydrophobicContact CE1-CD1 4.32Å; F42-L199 HydrophobicContact CE1-CD2 4.19Å; F42-L199 HydrophobicContact CE1-CG 4.37Å; F42-L199 HydrophobicContact CE2-CB 4.04Å; F42-L199 HydrophobicContact CE2-CD1 4.18Å; F42-L199 HydrophobicContact CG-CD1 3.71Å; F42-L199 HydrophobicContact CZ-CB 3.73Å; F42-L199 HydrophobicContact CZ-CD1 4.43Å; Y92-L199 HydrophobicContact CE1-CD1 3.8Å; Q115-L199 HydrophobicContact CB-CD2 4.39Å; Q115-L199 WeakPolarHBondContact O-CD2 3.47Å; C116-L199 HydrophobicContact CB-CD1 3.99Å; C116-L199 HydrophobicContact CB-CD2 4.41Å; P147-L199 HydrophobicContact CG-CD2 3.74Å; P147-L199 HydrophobicContact CG-CG 4.02Å; L195-L199 HydrophobicContact CB-CD1 4.38Å; L195-L199 WeakPolarHBondContact O-CB 3.39Å; L195-L199 WeakPolarHBondContact O-CD1 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.33Å; L195-L199 PolarHBondContact O-N 3.02Å; A196-L199 PolarHBondContact O-N 3.33Å |
| 200 | I | 97.3 | Very high | 94.8 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 34% | 0.344 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -82.5 | -24.3 | 177.5 | -58.2 | -60.9 | 0 | 0 | 0 | 111.5 | V40 F42 I90 A196 D202 L205 | V40-I200 HydrophobicContact CG1-CD1 4.01Å; F42-I200 HydrophobicContact CE2-CD1 4.01Å; F42-I200 HydrophobicContact CZ-CD1 3.86Å; I90-I200 HydrophobicContact CD1-CD1 4.01Å; I90-I200 HydrophobicContact CD1-CG1 3.75Å; A196-I200 VanDerWaalsContact O-CB 3.27Å; A196-I200 WeakPolarHBondContact O-CB 3.36Å; A196-I200 WeakPolarHBondContact O-CG1 3.45Å; A196-I200 PolarHBondContact O-N 3.35Å; I200-D202 VanDerWaalsContact C-N 3.34Å; I200-D202 HydrophobicContact CG2-CB 4.16Å; I200-L205 HydrophobicContact CB-CD1 4.08Å; I200-L205 HydrophobicContact CG1-CD1 3.84Å; I200-L205 HydrophobicContact CG2-CD1 4.21Å |
| 201 | G | 97.3 | Very high | 93.4 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 63% | 0.629 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 20 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R197 | R197-G201 WeakPolarHBondContact O-CA 3.46Å; R197-G201 PolarHBondContact O-N 3.08Å |
| 202 | D | 97.1 | Very high | 91.9 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | trans | -116.2 | 107.4 | 177.8 | -174.3 | -6.1 | 0 | 0 | 0 | 110.7 | R87 R197 I200 N204 L205 | R87-D202 IonicContact CZ-OD2 3.23Å; R87-D202 IonicContact NE-OD2 3.63Å; R87-D202 PolarHBondContact NE-OD2 2.93Å; R87-D202 IonicContact NH2-OD2 2.73Å; R87-D202 PolarHBondContact NH2-OD2 3.27Å; R197-D202 WeakPolarHBondContact CA-O 3.3Å; R197-D202 WeakPolarHBondContact CB-O 3.35Å; R197-D202 WeakPolarHBondContact CG-O 3.43Å; R197-D202 PolarHBondContact O-N 2.8Å; I200-D202 VanDerWaalsContact C-N 3.34Å; I200-D202 HydrophobicContact CG2-CB 4.16Å; D202-N204 PolarHBondContact O-N 3.02Å; D202-N204 WeakPolarHBondContact OD1-CA 3.3Å; D202-N204 WeakPolarHBondContact OD1-CB 3.36Å; D202-N204 PolarHBondContact OD1-N 2.84Å; D202-L205 HydrophobicContact CB-CB 4.33Å; D202-L205 WeakPolarHBondContact O-CB 3.5Å; D202-L205 PolarHBondContact O-N 3.16Å | ||
| 203 | P | 96.1 | Very high | 90.4 | Very high | 95 Ų | 95 | 61.4 Ų | 61.4 | 62% | 0.617 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.5 | 178 | 28.8 | -34.4 | 0 | 0 | 0 | 113.4 | R197 L205 | R197-P203 PolarHBondContact NE-O 3.04Å; P203-L205 VanDerWaalsContact C-N 3.32Å |
| 204 | N | 96.4 | Very high | 89.1 | Confident | 110 Ų | 110 | 61.6 Ų | 61.6 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 8.8 | 179.7 | -55.4 | -51 | 0 | 0 | 0 | 112.5 | N86 D202 E206 | N86-N204 PolarHBondContact ND2-O 3.18Å; D202-N204 PolarHBondContact O-N 3.02Å; D202-N204 WeakPolarHBondContact OD1-CA 3.3Å; D202-N204 WeakPolarHBondContact OD1-CB 3.36Å; D202-N204 PolarHBondContact OD1-N 2.84Å; N204-E206 PolarHBondContact O-N 3.42Å |
| 205 | L | 96.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | trans | -64.3 | 131.8 | 172.4 | -174.8 | 154.9 | 0 | 0 | 0 | 109.4 | T85 N86 R87 I90 L193 A196 R197 I200 D202 P203 F207 | T85-L205 HydrophobicContact CG2-CD1 4.48Å; T85-L205 HydrophobicContact CG2-CD2 3.92Å; T85-L205 HydrophobicContact CG2-CG 4.37Å; N86-L205 WeakPolarHBondContact OD1-CA 3.42Å; R87-L205 HydrophobicContact CG-CD1 4.47Å; I90-L205 HydrophobicContact CD1-CD1 3.89Å; L193-L205 HydrophobicContact CD1-CD2 3.7Å; A196-L205 HydrophobicContact CB-CD1 4.23Å; A196-L205 HydrophobicContact CB-CD2 3.77Å; R197-L205 HydrophobicContact CG-CB 3.96Å; R197-L205 PolarHBondContact NE-O 3.25Å; R197-L205 PolarHBondContact NH2-O 3.5Å; I200-L205 HydrophobicContact CB-CD1 4.08Å; I200-L205 HydrophobicContact CG1-CD1 3.84Å; I200-L205 HydrophobicContact CG2-CD1 4.21Å; D202-L205 HydrophobicContact CB-CB 4.33Å; D202-L205 WeakPolarHBondContact O-CB 3.5Å; D202-L205 PolarHBondContact O-N 3.16Å; P203-L205 VanDerWaalsContact C-N 3.32Å; L205-F207 HydrophobicContact CD2-CD1 4.44Å; L205-F207 HydrophobicContact CD2-CE1 4.31Å | ||
| 206 | E | 94.9 | Very high | 87 | Confident | 114 Ų | 114 | 67.2 Ų | 67.2 | 53% | 0.533 | 40% | 0.397 | S | S | . | . | trans | -135.3 | 149 | 179.9 | -68.4 | -175.5 | 168.2 | 0 | 0 | 110.4 | T85 N86 N204 | T85-E206 CarbonylContact C-O 3.52Å; T85-E206 WeakPolarHBondContact CA-O 2.93Å; T85-E206 WeakPolarHBondContact CB-O 3.26Å; N86-E206 PolarHBondContact N-O 3.11Å; N86-E206 PolarHBondContact OD1-N 3.09Å; N86-E206 PolarHBondContact OD1-O 3.17Å; N204-E206 PolarHBondContact O-N 3.42Å | ||
| 207 | F | 93.6 | Very high | 85.9 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 17% | 0.167 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -78.6 | 125.1 | 170.3 | -65 | -18.2 | 0 | 0 | 0 | 109.5 | F83 H84 T85 E189 F192 L193 A196 L205 | F83-F207 HydrophobicContact CB-CD1 4.23Å; F83-F207 HydrophobicContact CB-CE1 3.76Å; F83-F207 HydrophobicContact CB-CZ 3.91Å; F83-F207 HydrophobicContact CD1-CD2 4.03Å; F83-F207 HydrophobicContact CD1-CE1 4.25Å; F83-F207 AromaticContact CD1-CE2 3.47Å; F83-F207 HydrophobicContact CD1-CE2 3.47Å; F83-F207 VanDerWaalsContact CD1-CE2 3.47Å; F83-F207 AromaticContact CD1-CZ 3.59Å; F83-F207 HydrophobicContact CD1-CZ 3.59Å; F83-F207 AromaticContact CE1-CE2 3.95Å; F83-F207 HydrophobicContact CE1-CE2 3.95Å; F83-F207 HydrophobicContact CE1-CZ 4.28Å; F83-F207 HydrophobicContact CG-CE1 4.21Å; F83-F207 HydrophobicContact CG-CE2 4.19Å; F83-F207 AromaticContact CG-CZ 3.83Å; F83-F207 HydrophobicContact CG-CZ 3.83Å; H84-F207 WeakPolarHBondContact O-CA 3.44Å; T85-F207 HydrophobicContact CG2-CD1 3.85Å; T85-F207 HydrophobicContact CG2-CE1 3.98Å; E189-F207 HydrophobicContact CB-CD2 3.99Å; E189-F207 HydrophobicContact CB-CE2 3.94Å; E189-F207 HydrophobicContact CG-CD2 4.4Å; F192-F207 HydrophobicContact CB-CE2 4.2Å; F192-F207 HydrophobicContact CB-CZ 3.97Å; L193-F207 HydrophobicContact CB-CD2 4.37Å; L193-F207 HydrophobicContact CB-CE1 4.48Å; L193-F207 HydrophobicContact CB-CE2 3.84Å; L193-F207 HydrophobicContact CB-CZ 3.93Å; L193-F207 HydrophobicContact CD1-CD1 3.87Å; L193-F207 HydrophobicContact CD1-CD2 4.43Å; L193-F207 HydrophobicContact CD1-CE1 3.88Å; L193-F207 HydrophobicContact CD1-CE2 4.43Å; L193-F207 HydrophobicContact CD1-CG 4.17Å; L193-F207 HydrophobicContact CD1-CZ 4.18Å; A196-F207 HydrophobicContact CB-CE1 4.49Å; L205-F207 HydrophobicContact CD2-CD1 4.44Å; L205-F207 HydrophobicContact CD2-CE1 4.31Å |
| 208 | V | 92.3 | Very high | 85.2 | Confident | 99 Ų | 99 | 69.7 Ų | 69.7 | 60% | 0.6 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -93.8 | -13.2 | -177.8 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | H84 N86 | H84-V208 HydrophobicContact CB-CG2 4.03Å; H84-V208 WeakPolarHBondContact O-CG2 3.35Å; H84-V208 PolarHBondContact O-N 3.04Å; N86-V208 HydrophobicContact CB-CG1 3.89Å |
| 209 | A | 81.9 | Confident | 84.6 | Confident | 49 Ų | 49 | 70.7 Ų | 70.7 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -138.5 | 135.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | H84 | H84-A209 HydrophobicContact CB-CB 4.42Š|
| 210 | M | 68.4 | Low | 84.1 | Confident | 135 Ų | 135 | 69.9 Ų | 69.9 | 67% | 0.665 | 42% | 0.419 | S | S | * | . | trans | -68.2 | 137.6 | 164.7 | -65.5 | -169.1 | 114.8 | 0 | 0 | 107.8 | ||||
| 211 | P | 66.1 | Low | 83.8 | Confident | 28 Ų | 28 | 70 Ų | 70 | 18% | 0.182 | 42% | 0.42 | C | S | . | . | trans | -49.8 | 145.4 | 164.2 | -21.9 | 32 | 0 | 0 | 0 | 108.9 | F83 L213 | F83-P211 HydrophobicContact CD1-CG 3.94Å; F83-P211 HydrophobicContact CE1-CG 3.78Å; P211-L213 HydrophobicContact CB-CD2 4.39Å; P211-L213 HydrophobicContact CB-CG 4.43Å; P211-L213 PolarHBondContact O-N 2.9Å | ||
| 212 | A | 66.3 | Low | 83.4 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 84% | 0.835 | 42% | 0.423 | S | S | * | . | trans | -67.7 | 77 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 213 | L | 67.6 | Low | 83.1 | Confident | 43 Ų | 43 | 74.6 Ų | 74.6 | 23% | 0.225 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 134.5 | 178.3 | -62.3 | 176.1 | 0 | 0 | 0 | 108.7 | R60 F188 P211 | R60-L213 WeakPolarHBondContact O-CD2 3.18Å; F188-L213 HydrophobicContact CD1-CD1 3.78Å; F188-L213 HydrophobicContact CD1-CD2 3.9Å; F188-L213 HydrophobicContact CE1-CD1 4.39Å; F188-L213 HydrophobicContact CE1-CD2 3.69Å; P211-L213 HydrophobicContact CB-CD2 4.39Å; P211-L213 HydrophobicContact CB-CG 4.43Å; P211-L213 PolarHBondContact O-N 2.9Å |
| 214 | A | 69.7 | Low | 82.8 | Confident | 35 Ų | 35 | 71.4 Ų | 71.4 | 29% | 0.289 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -65 | 155.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G64 N185 | G64-A214 WeakPolarHBondContact O-CB 3.39Å; N185-A214 PolarHBondContact ND2-O 3.04Å |
| 215 | P | 73.6 | Confident | 82.5 | Confident | 111 Ų | 111 | 66.7 Ų | 66.7 | 72% | 0.721 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 144.7 | 178.7 | -26.7 | 34.3 | 0 | 0 | 0 | 112.3 | R60 | R60-P215 PolarHBondContact NH2-O 2.85Å; R60-P215 VanDerWaalsContact NH2-O 3.07Å |
| 216 | P | 78.7 | Confident | 82.3 | Confident | 49 Ų | 49 | 69.4 Ų | 69.4 | 32% | 0.318 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 139.2 | 175.4 | 24.8 | -33.5 | 0 | 0 | 0 | 111.1 | R60 I218 L219 | R60-P216 VanDerWaalsContact NH2-CA 3.3Å; P216-I218 WeakPolarHBondContact CB-O 3.42Å; P216-I218 PolarHBondContact O-N 2.9Å; P216-L219 HydrophobicContact CB-CD2 4.48Å; P216-L219 HydrophobicContact CG-CD2 3.62Å |
| 217 | E | 75.6 | Confident | 82.1 | Confident | 74 Ų | 74 | 69.1 Ų | 69.1 | 35% | 0.346 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -69.6 | -30.8 | 174.3 | -73.4 | -153.7 | 157.2 | 0 | 0 | 111.3 | F66 K68 K183 | F66-E217 HydrophobicContact CB-CG 3.79Å; F66-E217 HydrophobicContact CD1-CG 4.05Å; F66-E217 VanDerWaalsContact CD1-OE1 3.27Å; F66-E217 WeakPolarHBondContact CD1-OE1 3.25Å; F66-E217 WeakPolarHBondContact CD1-OE2 3.33Å; F66-E217 HydrophobicContact CG-CG 4.02Å; K68-E217 VanDerWaalsContact CE-CD 3.45Å; K68-E217 WeakPolarHBondContact CE-OE1 3.39Å; K68-E217 WeakPolarHBondContact CE-OE2 3.21Å; K68-E217 IonicContact NZ-OE1 2.7Å; K183-E217 HydrophobicContact CG-CB 4.17Å; K183-E217 PolarHBondContact O-N 2.84Å |
| 218 | I | 84.2 | Confident | 82 | Confident | 56 Ų | 56 | 68 Ų | 68 | 29% | 0.287 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -138.4 | 143.4 | 175.7 | 64.5 | -178.9 | 0 | 0 | 0 | 108.3 | D156 K183 S184 P216 | D156-I218 HydrophobicContact CB-CD1 3.53Å; D156-I218 HydrophobicContact CB-CG1 4.48Å; D156-I218 VanDerWaalsContact OD2-CD1 3.3Å; D156-I218 WeakPolarHBondContact OD2-CD1 3.25Å; K183-I218 HydrophobicContact CB-CD1 4.23Å; K183-I218 HydrophobicContact CB-CG1 4.37Å; K183-I218 HydrophobicContact CD-CD1 3.59Å; K183-I218 HydrophobicContact CD-CG1 4.13Å; K183-I218 HydrophobicContact CG-CD1 3.89Å; K183-I218 HydrophobicContact CG-CG1 3.93Å; S184-I218 VanDerWaalsContact CA-O 3.25Å; S184-I218 WeakPolarHBondContact CA-O 3.45Å; S184-I218 WeakPolarHBondContact CB-O 3.37Å; P216-I218 WeakPolarHBondContact CB-O 3.42Å; P216-I218 PolarHBondContact O-N 2.9Å |
| 219 | L | 85.3 | Confident | 82 | Confident | 149 Ų | 149 | 67.9 Ų | 67.9 | 78% | 0.78 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 132 | 171.4 | -63.5 | 173.1 | 0 | 0 | 0 | 108.9 | P216 D221 | P216-L219 HydrophobicContact CB-CD2 4.48Å; P216-L219 HydrophobicContact CG-CD2 3.62Å; L219-D221 PolarHBondContact O-N 3.35Å |
| 220 | M | 87.4 | Confident | 82.5 | Confident | 26 Ų | 26 | 71 Ų | 71 | 13% | 0.128 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -64 | 131.1 | 168.5 | -172.2 | 65.1 | -177.9 | 0 | 0 | 108.3 | V155 D156 Y186 P222 L224 A225 Y228 | V155-M220 HydrophobicContact CB-CE 4.45Å; V155-M220 HydrophobicContact CG2-CE 3.95Å; V155-M220 HydrophobicContact CG2-SD 4.37Å; D156-M220 HydrophobicContact CB-SD 4.3Å; Y186-M220 HydrophobicContact CD2-CB 4.46Å; Y186-M220 HydrophobicContact CD2-CG 4.08Å; Y186-M220 HydrophobicContact CG-CG 4.17Å; M220-P222 VanDerWaalsContact O-CD 3.3Å; M220-P222 WeakPolarHBondContact O-CD 3.25Å; M220-L224 HydrophobicContact CE-CB 4.36Å; M220-L224 HydrophobicContact CE-CD2 3.96Å; M220-L224 HydrophobicContact CE-CG 4.02Å; M220-A225 HydrophobicContact CE-CB 4.47Å; M220-A225 HydrophobicContact CG-CB 4.06Å; M220-Y228 HydrophobicContact CE-CD2 3.92Å; M220-Y228 HydrophobicContact CE-CE2 3.93Å |
| 221 | D | 90.1 | Very high | 83.6 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 119.1 | 175.2 | -179.8 | -20.4 | 0 | 0 | 0 | 109.1 | L219 S223 L224 A225 | L219-D221 PolarHBondContact O-N 3.35Å; D221-S223 VanDerWaalsContact CG-OG 3.26Å; D221-S223 PolarHBondContact O-N 2.88Å; D221-S223 WeakPolarHBondContact OD1-CB 3.41Å; D221-S223 PolarHBondContact OD1-N 3.3Å; D221-S223 PolarHBondContact OD1-OG 3.14Å; D221-S223 PolarHBondContact OD2-OG 2.73Å; D221-L224 HydrophobicContact CB-CB 3.87Å; D221-L224 PolarHBondContact O-N 3.21Å; D221-L224 VanDerWaalsContact O-N 3.12Å; D221-A225 PolarHBondContact O-N 2.93Å |
| 222 | P | 89.4 | Confident | 84.7 | Confident | 106 Ų | 106 | 68 Ų | 68 | 69% | 0.688 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.6 | -33.5 | -177 | -24.9 | 34.6 | 0 | 0 | 0 | 113.3 | M220 A226 | M220-P222 VanDerWaalsContact O-CD 3.3Å; M220-P222 WeakPolarHBondContact O-CD 3.25Å; P222-A226 WeakPolarHBondContact O-CB 3.39Å; P222-A226 PolarHBondContact O-N 3.2Å |
| 223 | S | 91.6 | Very high | 85.9 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 56% | 0.559 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.5 | -40.6 | 178.4 | 68.5 | 0 | 0 | 0 | 0 | 111.3 | D221 Q227 | D221-S223 VanDerWaalsContact CG-OG 3.26Å; D221-S223 PolarHBondContact O-N 2.88Å; D221-S223 WeakPolarHBondContact OD1-CB 3.41Å; D221-S223 PolarHBondContact OD1-N 3.3Å; D221-S223 PolarHBondContact OD1-OG 3.14Å; D221-S223 PolarHBondContact OD2-OG 2.73Å; S223-Q227 WeakPolarHBondContact O-CB 3.48Å; S223-Q227 PolarHBondContact O-N 3.09Å |
| 224 | L | 89.4 | Confident | 87.1 | Confident | 27 Ų | 27 | 70 Ų | 70 | 14% | 0.141 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 176.6 | -172.5 | 63 | 0 | 0 | 0 | 111.7 | M220 D221 Q227 Y228 | M220-L224 HydrophobicContact CE-CB 4.36Å; M220-L224 HydrophobicContact CE-CD2 3.96Å; M220-L224 HydrophobicContact CE-CG 4.02Å; D221-L224 HydrophobicContact CB-CB 3.87Å; D221-L224 PolarHBondContact O-N 3.21Å; D221-L224 VanDerWaalsContact O-N 3.12Å; L224-Q227 PolarHBondContact O-N 2.98Å; L224-Y228 HydrophobicContact CD1-CE1 3.93Å; L224-Y228 HydrophobicContact CD1-CE2 3.91Å; L224-Y228 HydrophobicContact CD2-CE2 3.99Å; L224-Y228 HydrophobicContact CG-CD2 4.15Å; L224-Y228 HydrophobicContact CG-CE2 3.63Å; L224-Y228 PolarHBondContact O-N 3.19Å |
| 225 | A | 90.1 | Very high | 88 | Confident | 12 Ų | 12 | 69 Ų | 69 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y186 M220 D221 Q227 Y228 E229 | Y186-A225 HydrophobicContact CD2-CB 4.45Å; Y186-A225 HydrophobicContact CE2-CB 3.7Å; M220-A225 HydrophobicContact CE-CB 4.47Å; M220-A225 HydrophobicContact CG-CB 4.06Å; D221-A225 PolarHBondContact O-N 2.93Å; A225-Q227 VanDerWaalsContact C-N 3.31Å; A225-Q227 PolarHBondContact O-N 3Å; A225-Y228 PolarHBondContact O-N 2.99Å; A225-E229 WeakPolarHBondContact O-CG 3.28Å; A225-E229 PolarHBondContact O-N 3.03Å |
| 226 | A | 91.2 | Very high | 88.6 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 46% | 0.463 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P222 E229 H230 | P222-A226 WeakPolarHBondContact O-CB 3.39Å; P222-A226 PolarHBondContact O-N 3.2Å; A226-E229 PolarHBondContact O-N 3.15Å; A226-H230 WeakPolarHBondContact O-CB 3.21Å; A226-H230 PolarHBondContact O-N 3.02Å |
| 227 | Q | 92.5 | Very high | 88.9 | Confident | 108 Ų | 108 | 71.1 Ų | 71.1 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 174.9 | -177 | 179.1 | 7 | 0 | 0 | 111.6 | S223 L224 A225 H230 D231 | S223-Q227 WeakPolarHBondContact O-CB 3.48Å; S223-Q227 PolarHBondContact O-N 3.09Å; L224-Q227 PolarHBondContact O-N 2.98Å; A225-Q227 VanDerWaalsContact C-N 3.31Å; A225-Q227 PolarHBondContact O-N 3Å; Q227-H230 PolarHBondContact O-N 3.02Å; Q227-D231 WeakPolarHBondContact O-CB 3.31Å; Q227-D231 VanDerWaalsContact O-CG 3.32Å; Q227-D231 PolarHBondContact O-N 3.31Å |
| 228 | Y | 91.1 | Very high | 89.4 | Confident | 16 Ų | 16 | 71.3 Ų | 71.3 | 6% | 0.063 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.3 | -38 | 179.1 | -69.5 | -25.9 | 0 | 0 | 0 | 113 | V155 R160 M220 L224 A225 H230 D231 L232 | V155-Y228 HydrophobicContact CB-CD2 4.24Å; V155-Y228 HydrophobicContact CB-CE2 4.04Å; V155-Y228 WeakPolarHBondContact O-CE2 3.31Å; R160-Y228 VanDerWaalsContact NH1-CG 3.32Å; M220-Y228 HydrophobicContact CE-CD2 3.92Å; M220-Y228 HydrophobicContact CE-CE2 3.93Å; L224-Y228 HydrophobicContact CD1-CE1 3.93Å; L224-Y228 HydrophobicContact CD1-CE2 3.91Å; L224-Y228 HydrophobicContact CD2-CE2 3.99Å; L224-Y228 HydrophobicContact CG-CD2 4.15Å; L224-Y228 HydrophobicContact CG-CE2 3.63Å; L224-Y228 PolarHBondContact O-N 3.19Å; A225-Y228 PolarHBondContact O-N 2.99Å; Y228-H230 VanDerWaalsContact C-N 3.35Å; Y228-D231 PolarHBondContact O-N 2.97Å; Y228-L232 WeakPolarHBondContact O-CB 3.4Å; Y228-L232 VanDerWaalsContact O-CG 3.31Å; Y228-L232 WeakPolarHBondContact O-CG 3.03Å; Y228-L232 PolarHBondContact O-N 2.7Å |
| 229 | E | 91 | Very high | 89.4 | Confident | 96 Ų | 96 | 72.7 Ų | 72.7 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 173.1 | -70.7 | -173.2 | 158.9 | 0 | 0 | 111.8 | Y186 K190 A225 A226 L232 K233 | Y186-E229 WeakPolarHBondContact OH-CG 3.14Å; Y186-E229 PolarHBondContact OH-OE1 3.25Å; K190-E229 IonicContact NZ-OE1 2.79Å; A225-E229 WeakPolarHBondContact O-CG 3.28Å; A225-E229 PolarHBondContact O-N 3.03Å; A226-E229 PolarHBondContact O-N 3.15Å; E229-L232 PolarHBondContact O-N 3.39Å; E229-K233 PolarHBondContact O-N 3.23Å |
| 230 | H | 93.2 | Very high | 89.1 | Confident | 113 Ų | 113 | 68.5 Ų | 68.5 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -48.6 | 174.5 | -179.5 | 73.7 | 0 | 0 | 0 | 111.9 | A226 Q227 Y228 L232 K233 V234 | A226-H230 WeakPolarHBondContact O-CB 3.21Å; A226-H230 PolarHBondContact O-N 3.02Å; Q227-H230 PolarHBondContact O-N 3.02Å; Y228-H230 VanDerWaalsContact C-N 3.35Å; H230-L232 VanDerWaalsContact C-N 3.28Å; H230-L232 PolarHBondContact O-N 3.12Å; H230-K233 WeakPolarHBondContact O-CB 3.5Å; H230-K233 PolarHBondContact O-N 2.93Å; H230-K233 VanDerWaalsContact O-N 3.13Å; H230-V234 WeakPolarHBondContact O-CG2 3.09Å; H230-V234 PolarHBondContact O-N 2.77Å |
| 231 | D | 91.6 | Very high | 88.5 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 32% | 0.321 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.9 | -38.6 | 179.1 | -76.5 | -10.3 | 0 | 0 | 0 | 111.9 | A164 Q227 Y228 A235 | A164-D231 HydrophobicContact CB-CB 3.9Å; Q227-D231 WeakPolarHBondContact O-CB 3.31Å; Q227-D231 VanDerWaalsContact O-CG 3.32Å; Q227-D231 PolarHBondContact O-N 3.31Å; Y228-D231 PolarHBondContact O-N 2.97Å; D231-A235 VanDerWaalsContact O-CB 3.26Å; D231-A235 WeakPolarHBondContact O-CB 3.37Å; D231-A235 PolarHBondContact O-N 2.81Å |
| 232 | L | 90.3 | Very high | 87.6 | Confident | 40 Ų | 40 | 73.3 Ų | 73.3 | 21% | 0.209 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 175.3 | -75.4 | 171.7 | 0 | 0 | 0 | 112.2 | A164 Y177 D179 Y228 E229 H230 A235 S236 | A164-L232 HydrophobicContact CB-CD2 3.74Å; A164-L232 HydrophobicContact CB-CG 4.14Å; Y177-L232 HydrophobicContact CD1-CD1 4.28Å; Y177-L232 HydrophobicContact CD1-CD2 3.72Å; Y177-L232 HydrophobicContact CE1-CD1 3.93Å; Y177-L232 HydrophobicContact CE1-CD2 3.46Å; Y177-L232 VanDerWaalsContact CE1-CD2 3.46Å; Y177-L232 HydrophobicContact CE1-CG 4.36Å; D179-L232 HydrophobicContact CB-CD1 4.22Å; Y228-L232 WeakPolarHBondContact O-CB 3.4Å; Y228-L232 VanDerWaalsContact O-CG 3.31Å; Y228-L232 WeakPolarHBondContact O-CG 3.03Å; Y228-L232 PolarHBondContact O-N 2.7Å; E229-L232 PolarHBondContact O-N 3.39Å; H230-L232 VanDerWaalsContact C-N 3.28Å; H230-L232 PolarHBondContact O-N 3.12Å; L232-A235 PolarHBondContact O-N 3.39Å; L232-S236 WeakPolarHBondContact O-CB 3.21Å; L232-S236 PolarHBondContact O-N 3.44Å |
| 233 | K | 90.8 | Very high | 86.1 | Confident | 130 Ų | 130 | 76 Ų | 76 | 57% | 0.565 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.2 | -49.4 | 175.6 | -174 | 178.5 | 177.5 | -176.3 | 0 | 111 | E229 H230 A235 S236 E237 | E229-K233 PolarHBondContact O-N 3.23Å; H230-K233 WeakPolarHBondContact O-CB 3.5Å; H230-K233 PolarHBondContact O-N 2.93Å; H230-K233 VanDerWaalsContact O-N 3.13Å; K233-A235 VanDerWaalsContact C-N 3.33Å; K233-A235 PolarHBondContact O-N 2.92Å; K233-S236 PolarHBondContact O-N 3.41Å; K233-S236 VanDerWaalsContact O-N 3.12Å; K233-S236 PolarHBondContact O-OG 3.15Å; K233-E237 VanDerWaalsContact CE-OE1 3.3Å; K233-E237 WeakPolarHBondContact CE-OE1 3.37Å; K233-E237 PolarHBondContact O-N 3.4Å |
| 234 | V | 92 | Very high | 84.2 | Confident | 56 Ų | 56 | 78.8 Ų | 78.8 | 34% | 0.339 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | H230 S236 E237 T238 | H230-V234 WeakPolarHBondContact O-CG2 3.09Å; H230-V234 PolarHBondContact O-N 2.77Å; V234-S236 VanDerWaalsContact C-N 3.28Å; V234-S236 PolarHBondContact O-N 3.11Å; V234-E237 PolarHBondContact O-N 3.48Å; V234-T238 PolarHBondContact O-N 3.32Å; V234-T238 VanDerWaalsContact O-N 3.15Å; V234-T238 PolarHBondContact O-OG1 3.35Å |
| 235 | A | 88.3 | Confident | 82.4 | Confident | 16 Ų | 16 | 84 Ų | 84 | 13% | 0.132 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.5 | -30.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | A164 R171 D231 L232 K233 | A164-A235 HydrophobicContact CB-CB 4.16Å; R171-A235 PolarHBondContact NH1-O 2.71Å; D231-A235 VanDerWaalsContact O-CB 3.26Å; D231-A235 WeakPolarHBondContact O-CB 3.37Å; D231-A235 PolarHBondContact O-N 2.81Å; L232-A235 PolarHBondContact O-N 3.39Å; K233-A235 VanDerWaalsContact C-N 3.33Å; K233-A235 PolarHBondContact O-N 2.92Å |
| 236 | S | 85.9 | Confident | 80.4 | Confident | 64 Ų | 64 | 89.1 Ų | 89.1 | 45% | 0.448 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71 | -30.7 | 176.4 | 76.4 | 0 | 0 | 0 | 0 | 113.1 | L232 K233 V234 | L232-S236 WeakPolarHBondContact O-CB 3.21Å; L232-S236 PolarHBondContact O-N 3.44Å; K233-S236 PolarHBondContact O-N 3.41Å; K233-S236 VanDerWaalsContact O-N 3.12Å; K233-S236 PolarHBondContact O-OG 3.15Å; V234-S236 VanDerWaalsContact C-N 3.28Å; V234-S236 PolarHBondContact O-N 3.11Å |
| 237 | E | 86.8 | Confident | 77.8 | Confident | 140 Ų | 140 | 97.4 Ų | 97.4 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -84.5 | -19.1 | 178.9 | -66.4 | 169.8 | -172.3 | 0 | 0 | 112.6 | K233 V234 | K233-E237 VanDerWaalsContact CE-OE1 3.3Å; K233-E237 WeakPolarHBondContact CE-OE1 3.37Å; K233-E237 PolarHBondContact O-N 3.4Å; V234-E237 PolarHBondContact O-N 3.48Å |
| 238 | T | 86.3 | Confident | 77.1 | Confident | 77 Ų | 77 | 96.9 Ų | 96.9 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -72.9 | 141.7 | 176.6 | -50.9 | 0 | 0 | 0 | 0 | 110.8 | R171 V234 | R171-T238 PolarHBondContact NH1-O 2.66Å; R171-T238 PolarHBondContact NH2-O 2.68Å; V234-T238 PolarHBondContact O-N 3.32Å; V234-T238 VanDerWaalsContact O-N 3.15Å; V234-T238 PolarHBondContact O-OG1 3.35Å |
| 239 | A | 83 | Confident | 76.3 | Confident | 85 Ų | 85 | 101.2 Ų | 101.2 | 70% | 0.702 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 149.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 240 | L | 79.4 | Confident | 75.5 | Confident | 62 Ų | 62 | 101.4 Ų | 101.4 | 33% | 0.325 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 141.4 | 171.4 | -69.6 | 173.5 | 0 | 0 | 0 | 108.9 | V168 R171 K172 | V168-L240 HydrophobicContact CB-CD2 3.89Å; V168-L240 HydrophobicContact CG1-CD2 4.07Å; R171-L240 HydrophobicContact CB-CD1 4.1Å; R171-L240 HydrophobicContact CB-CD2 3.9Å; R171-L240 HydrophobicContact CB-CG 4.48Å; K172-L240 HydrophobicContact CG-CD1 4.39Å |
| 241 | P | 74.5 | Confident | 74.5 | Confident | 65 Ų | 65 | 100.8 Ų | 100.8 | 42% | 0.422 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 148.3 | 167.9 | 27.1 | -32.2 | 0 | 0 | 0 | 109.6 | ||
| 242 | D | 70.6 | Confident | 73.4 | Confident | 131 Ų | 131 | 103.3 Ų | 103.3 | 70% | 0.701 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 147.9 | 179.4 | -65.8 | -40.5 | 0 | 0 | 0 | 110.7 | D244 D245 | D242-D244 PolarHBondContact O-N 3.42Å; D242-D244 VanDerWaalsContact O-N 3.09Å; D242-D245 PolarHBondContact O-N 2.78Å |
| 243 | E | 58.6 | Low | 72.3 | Confident | 161 Ų | 161 | 107.5 Ų | 107.5 | 75% | 0.752 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -63.7 | -17.1 | -172.1 | -70.4 | -166.3 | 146.1 | 0 | 0 | 114.1 | D245 | E243-D245 VanDerWaalsContact C-N 3.34Å; E243-D245 PolarHBondContact O-N 3.48Å |
| 244 | D | 52 | Low | 70.9 | Confident | 140 Ų | 140 | 105.9 Ų | 105.9 | 75% | 0.749 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -78.7 | -9.6 | -173.6 | -65.5 | -34.7 | 0 | 0 | 0 | 114.6 | D242 D246 | D242-D244 PolarHBondContact O-N 3.42Å; D242-D244 VanDerWaalsContact O-N 3.09Å; D244-D246 PolarHBondContact O-N 3.16Å |
| 245 | D | 51.4 | Low | 69.3 | Low | 136 Ų | 136 | 109.8 Ų | 109.8 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -83.2 | -3.9 | -177.6 | -91 | -15.7 | 0 | 0 | 0 | 114.5 | D242 E243 | D242-D245 PolarHBondContact O-N 2.78Å; E243-D245 VanDerWaalsContact C-N 3.34Å; E243-D245 PolarHBondContact O-N 3.48Å |
| 246 | D | 48.4 | Very low | 67.7 | Low | 119 Ų | 119 | 117.6 Ų | 117.6 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -110.9 | 22.7 | -173.6 | -78.5 | -37.2 | 0 | 0 | 0 | 114.4 | K172 D244 | K172-D246 IonicContact NZ-OD2 2.66Å; K172-D246 PolarHBondContact NZ-OD2 3.01Å; D244-D246 PolarHBondContact O-N 3.16Å |
| 247 | L | 35.8 | Very low | 66.1 | Low | 231 Ų | 231 | 122.5 Ų | 122.5 | 100% | 1.209 | 67% | 0.668 | S | S | * | * | trans | -85 | 0 | 168.9 | -81.1 | 172 | 0 | 0 | 0 | 113.1 |
Retrieved 247 of 247 residues in 1423.1 ms
(Link to these results)